National Library of Energy BETA

Sample records for bonding electrons red

  1. Thermal Performance and Reliability of Bonded Interfaces for Power Electronics Packaging Applications (Presentation)

    SciTech Connect (OSTI)

    Devoto, D.

    2013-07-01

    This presentation discusses the thermal performance and reliability of bonded interfaces for power electronics packaging applications.

  2. Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions

    SciTech Connect (OSTI)

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.; Iversen, Bo B.; Spackman, M. A.

    2013-02-21

    The bonded radii for more than 550 bonded pairs of atoms, comprising more than 50 crystals, determined from experimental and theoretical electron density distributions, are compared with the effective ionic, ri(M), and crystal radii, rc(M), for metal atoms, M, bonded to O atoms. At odds with the fixed ionic radius of 1.40 , assumed for the O atom in the compilation of the ionic radii, the bonded radius for the atom, rb(O), is not fixed but displays a relatively wide range of values as the O atom is progressively polarized by the M-O bonded interactions: as such, rb(O) decreases systematically from 1.40 (the Pauling radius of the oxide anion) as bond lengths decrease when bonded to an electropositive atom like sodium, to 0.64 (Braggs atomic radius of the O atom) when bonded to an electronegative atom like nitrogen. Both rb(M) and rb(O) increase in tandum with the increasing coordination number of the M atom. The bonded radii of the M atoms are highly correlated with both ri(M) and rc(M), but they both depart systematically from rb(M) and become smaller as the electronegativity of the M atom increases and the M-O bond length decreases. The well-developed correlations between both sets of radii and rb(M) testifies to the relative precision of both sets of radii and the fact that both sets are highly correlated the M-O bond 1 lengths. On the other hand, the progressive departure of rb(O) from the fixed ionic radius of the O atom with the increasing electronegativity of the bonded M atom indicates that any compilation of sets of ionic radii, assuming that the radius for the oxygen atom is fixed in value, is problematical and impacts on the accuracy of the resulting sets of ionic and crystal radii thus compiled. The assumption of a fixed O atom radius not only results in a negative ionic radii for several atoms, but it also results in values of rb(M) that are much as ~ 0.6 larger than the ri(M) and rc(M) values, respectively, particularly for the more

  3. Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: Harmonic constraints for methanol dimer

    SciTech Connect (OSTI)

    Heger, Matthias; Suhm, Martin A.; Mata, Ricardo A.

    2014-09-14

    The discrepancy between experimental and harmonically predicted shifts of the OH stretching fundamental of methanol upon hydrogen bonding to a second methanol unit is too large to be blamed mostly on diagonal and off-diagonal anharmonicity corrections. It is shown that a decisive contribution comes from post-MP2 electron correlation effects, which appear not to be captured by any of the popular density functionals. We also identify that the major deficiency is in the description of the donor OH bond. Together with estimates for the electronic and harmonically zero-point corrected dimer binding energies, this work provides essential constraints for a quantitative description of this simple hydrogen bond. The spectroscopic dissociation energy is predicted to be larger than 18 kJ/mol and the harmonic OH-stretching fundamental shifts by about ?121 cm{sup ?1} upon dimerization, somewhat more than in the anharmonic experiment (?111 cm{sup ?1})

  4. Color stable white phosphorescent organic light emitting diodes with red emissive electron transport layer

    SciTech Connect (OSTI)

    Wook Kim, Jin; Yoo, Seung Il; Sung Kang, Jin; Eun Lee, Song; Kwan Kim, Young; Hwa Yu, Hyeong; Turak, Ayse; Young Kim, Woo

    2015-06-28

    We analyzed the performance of multi-emissive white phosphorescent organic light-emitting diodes (PHOLEDs) in relation to various red emitting sites of hole and electron transport layers (HTL and ETL). The shift of the recombination zone producing stable white emission in PHOLEDs was utilized as luminance was increased with red emission in its electron transport layer. Multi-emissive white PHOLEDs including the red light emitting electron transport layer yielded maximum external quantum efficiency of 17.4% with CIE color coordinates (−0.030, +0.001) shifting only from 1000 to 10 000 cd/m{sup 2}. Additionally, we observed a reduction of energy loss in the white PHOLED via Ir(piq){sub 3} as phosphorescent red dopant in electron transport layer.

  5. Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions

    SciTech Connect (OSTI)

    Lobayan, Rosana M.; Bochicchio, Roberto C.

    2014-05-07

    Two-electron three-center bonding interactions in organic ions like methonium (CH{sub 5}{sup +}), ethonium (C{sub 2}H{sub 7}{sup +}), and protonated alkanes n?C{sub 4}H{sub 11}{sup +} isomers (butonium cations) are described and characterized within the theoretical framework of the topological analysis of the electron density decomposition into its effectively paired and unpaired contributions. These interactions manifest in some of this type of systems as a concentration of unpaired electron cloud around the bond paths, in contrast to the well known paradigmatic boron hydrids in which it is not only concentrated close to the atomic nucleus and the bond paths but out of them and over the region defined by the involved atoms as a whole. This result permits to propose an attempt of classification for these interactions based in such manifestations. In the first type, it is called as interactions through bonds and in the second type as interactions through space type.

  6. On the bonding nature of electron states for the Fe-Mo double perovskite

    SciTech Connect (OSTI)

    Carvajal, E.; Cruz-Irisson, M.; Oviedo-Roa, R.; Navarro, O.

    2014-05-15

    The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr{sub 2}FeMoO{sub 6} double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by e{sub g} and t{sub 2g} electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.

  7. Development of a Fundamental Understanding of Chemical Bonding and Electronic Structure in Spinel Compounds

    SciTech Connect (OSTI)

    Sickafus, K.E.; Wills, J.M.; Chen, S.-P.; Terry, J.H., Jr.; Hartmann, T.; Sheldon, R.I.

    1999-05-14

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos national Laboratory (LANL). Hundreds of ceramic compounds possess the spinel crystal structure and exhibit a remarkable variety of properties, ranging from compounds that are electrical insulators to compounds that are superconducting, or from compounds with ferri- and antiferromagnetic behavior to materials with colossal magnetoresistive characteristics. The unique crystal structure of spinel compounds is in many ways responsible for the widely varying physical properties of spinels. The objective of this project is to investigate the nature of chemical bonding, point defects, and electronic structure in compounds with the spinel crystal structure. Our goal is to understand and predict the stability of the spinel structure as a function of chemical composition, stoichiometry, and cation disorder. The consequences of cation disorder in spinel materials can be profound . The ferromagnetic characteristics of magnesioferrite, for instance, are entirely attributable to disorder on the cation sublattices. Our studies provide insight into the mechanisms of point defect formation and cation disorder and their effects on the electronic band structure and crystal structure of spinel-structure materials. our ultimate objective is to develop a more substantive knowledge of the spinel crystal structure and to promote new and novel uses for spinel compounds. The technical approach to achieve our goals is to combine first-principles calculations with experimental measurements. The structural and electronic properties of spinel samples were experimentally determined primarily with X-ray and neutron scattering, optical and X-ray absorption, and electron energy-loss spectroscopy. Total energy electronic structure calculations were performed to determine structural stability, band structure, density of states, and electron distribution. We also used shell

  8. Development of a Fundamental Understanding of Chemical Bonding and Electronic Structure in Spinel Compounds

    SciTech Connect (OSTI)

    Sickafus, K.E.; Wills, J.M.; Chen, S.-P.; Terry, J.H., Jr.; Hartmann, T.; Sheldon, R.I.

    1999-06-03

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Hundreds of ceramic compounds possess the spinel crystal structure and exhibit a remarkable variety of properties, ranging from compounds that are electrical insulators to compounds that are superconducting, or from compounds with ferri- and antiferromagnetic behavior to materials with colossal magnetoresistive characteristics. The unique crystal structure of spinel compounds is in many ways responsible for the widely varying physical properties of spinels. The objective of this project is to investigate the nature of chemical bonding, point defects, and electronic structure in compounds with the spinel crystal structure. Our goal is to understand and predict the stability of the spinel structure as a function of chemical composition, stoichiometry, and cation disorder. The consequences of cation disorder in spinel materials can be profound . The ferromagnetic characteristics of magnesioferrite, for instance, are entirely attributable to disorder on the cation sublattices. Our studies provide insight into the mechanisms of point defect formation and cation disorder and their effects on the electronic band structure and crystal structure of spinel-structure materials. Our ultimate objective is to develop a more substantive knowledge of the spinel crystal structure and to promote new and novel uses for spinel compounds. The technical approach to achieve our goals is to combine first-principles calculations with experimental measurements. The structural and electronic properties of spinel samples were experimentally determined primarily with X-ray and neutron scattering, optical and X-ray absorption, and electron energy-loss spectroscopy. Total energy electronic structure calculations were performed to determine structural stability, band structure, density of states, and electron distribution. We also used shell

  9. Electronic structure descriptor for the discovery of narrow-band red-emitting phosphors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Zhenbin; Chu, Iek -Heng; Zhou, Fei; Ong, Shyue Ping

    2016-05-09

    Narrow-band red-emitting phosphors are a critical component of phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report the discovery of a quantitative descriptor for narrow-band Eu2+-activated emission identified through a comparison of the electronic structures of known narrow-band and broad-band phosphors. We find that a narrow emission bandwidth is characterized by a large splitting of more than 0.1 eV between the two highest Eu2+ 4f7 bands. By incorporating this descriptor in a high-throughput first-principles screening of 2259 nitride compounds, we identify five promising new nitride hosts for Eu2+-activated red-emitting phosphors that are predicted to exhibit goodmore » chemical stability, thermal quenching resistance, and quantum efficiency, as well as narrow-band emission. Lastly, our findings provide important insights into the emission characteristics of rare-earth activators in phosphor hosts and a general strategy to the discovery of phosphors with a desired emission peak and bandwidth.« less

  10. Development of a Fluxless Flip Chip Bonding Process for Optical Military Electronics

    SciTech Connect (OSTI)

    Girardi, Michael

    2007-11-11

    As military electronics tend to become lighter, smaller, thinner, and lower cost, the use of flip chip technology is becoming more common place to meet system requirements, yet survive environments. This paper explores the development of an optical flip chip application and details the selection/qualification of the substrate. The selected assembly consists of a procured 1x12 Vertical Cavity Surface Emitting Laser (VCSEL) die, having 80um diameter eutectic AuSn solder bumps at 250um pitch and flip chip bonded to a .006” thick 99.6% alumina substrate with .006” diameter thru holes and metallized with 500Å WTi, under minimum 2.0-3.0μm (80-120μ”) thin film deposited Au. An 8 run, 3 factor, 2 level Full Factorial Design of Experiments (DOE) was completed on procured detector arrays and procured ceramic substrates using the Suss Microtec FC150. The optimum settings for the peak temperature, peak time and final die z-height were selected using the ANOVA results and interaction plots. Additional studies were completed to qualify in-house produced substrates. An epoxy glob-top encapsulant was selected to dissipate stress on the flip chip solder joints and to enhance thermal shock performance.

  11. First Principles Simulation of the Bonding, Vibrational, and Electronic Properties of the Hydration Shells of the High-Spin Fe 3+ Ion in Aqueous Solutions

    SciTech Connect (OSTI)

    Bogatko, Stuart A.; Bylaska, Eric J.; Weare, John H.

    2010-02-11

    Results of parameter-free first principles simulations of a spin up 3d5 Fe3+ ion hydrated in an aqueous solution (64 waters, 30 ps, 300 K) are reported. The first hydration shell associated with the first maximum of the radial distribution function, gFeO(r), at d(Fe-OI) = 2.11-2.15 Å, contains 6 waters with average d(OH) = 0.99 Å, in good agreement with observations. A second shell with average coordination number 13.3 can be identified with average shell radius of d(Fe-OII) = 4.21-4.32 Å. The waters in this hydration shell are coordinated to the first shell via a trigonal H-bond network with d(OI-OII) = 2.7-2.9 Å, also in agreement with experimental measurements. The first shell tilt angle average is 33.4° as compared to the reported value of 41°. Wannier-Boys orbitals (WBO) show an interaction between the unoccupied 3d orbitals of the Fe3+ valence (spin up, 3d5) and the occupied spin down lone pair orbitals of first shell waters. The effect of the spin ordering of the Fe3+ ion on the WBO is not observed beyond the first shell. From this local bond analysis and consistent with other observations, the electronic structure of waters in the second shell is similar to that of a bulk water even in this strongly interacting system. H-bond decomposition shows significant bulk-like structure within the second shell for Fe3+. The vibrational density of states shows a first shell red shift of 230 cm-1 for the v1,2v2,v3 overtone, in reasonable agreement with experimental estimates for trivalent cations (300 cm-1). No exchanges between first and second shell were observed. Waters in the second shell exchanged with bulk waters via dissociative and associative mechanisms. Results are compared with an AIMD study of Al3+ and 64 waters. For Fe3+ the average first shell tilt angle is larger and the tilt angle distribution wider. H-bond decomposition shows that second shell to second shell H-bonding is enhanced in Fe3+ suggesting an earlier onset of bulk

  12. Calmodulin Methionine Residues are Targets For One-Electron Oxidation by Hydroxyl Radicals: Formation of S therefore N three-electron bonded Radical Complexes

    SciTech Connect (OSTI)

    Nauser, Thomas; Jacoby, Michael E.; Koppenol, Willem H.; Squier, Thomas C.; Schoneich, Christian

    2005-02-01

    The one-electron (1e) oxidation of organic sulfides and methionine (Met) constitutes an important reaction mechanism in vivo.1,2 Evidence for a Cu(II)-catalyzed oxidation of Met35 in the Alzheimer's disease -amyloid peptide was obtained,3 and, based on theoretical studies, Met radical cations were proposed as intermediates.4 In the structure of -amyloid peptide, the formation of Met radical cations appears to be facilitated by a preexisting close sulfur-oxygen (S-O) interaction between the Met35 sulfur and the carbonyl oxygen of the peptide bond C-terminal to Ile31.5 Substitution of Ile31 with Pro31 abolishes this S-O interaction,5 significantly reducing the ability of -amyloid to reduce Cu(II), and converts the neurotoxic wild-type -amyloid into a non-toxic peptide.6 The preexisting S-O bond characterized for wild-type -amyloid suggests that electron transfer from Met35 to Cu(II) is supported through stabilization of the Met radical cation by the electron-rich carbonyl oxygen, generating an SO-bonded7 sulfide radical cation (Scheme 1, reaction 1).5

  13. Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion

    SciTech Connect (OSTI)

    Schmidt, Michael W; Ivanic, Joseph; Ruedenberg, Klaus

    2014-05-28

    An analysis based on the variation principle shows that in the molecules H2 +, H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.

  14. Compact two-electron wave function for bond dissociation and Van der Waals interactions: A natural amplitude assessment

    SciTech Connect (OSTI)

    Giesbertz, Klaas J. H.; Leeuwen, Robert van

    2014-05-14

    Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f?(r{sub 12}) depending on the interelectronic distance r{sub 12}. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f?(r{sub 12}) needs to diverge for large r{sub 12} at large internuclear distances while for shorter bond distances it increases as a function of r{sub 12} to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

  15. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Trending: Metal Oxo Bonds Trending: Metal Oxo Bonds Print Wednesday, 29 May 2013 00:00 Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides

  16. The effects of surface bond relaxation on electronic structure of Sb{sub 2}Te{sub 3} nano-films by first-principles calculation

    SciTech Connect (OSTI)

    Li, C. Zhao, Y. F.; Fu, C. X.; Gong, Y. Y.; Chi, B. Q.; Sun, C. Q.

    2014-10-15

    The effects of vertical compressive stress on Sb{sub 2}Te{sub 3} nano-films have been investigated by the first principles calculation, including stability, electronic structure, crystal structure, and bond order. It is found that the band gap of nano-film is sensitive to the stress in Sb{sub 2}Te{sub 3} nano-film and the critical thickness increases under compressive stress. The band gap and band order of Sb{sub 2}Te{sub 3} film has been affected collectively by the surface and internal crystal structures, the contraction ratio between surface bond length of nano-film and the corresponding bond length of bulk decides the band order of Sb{sub 2}Te{sub 3} film.

  17. Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases

    SciTech Connect (OSTI)

    Bartocci, Alessio; Cappelletti, David; Pirani, Fernando; Belpassi, Leonardo; Falcinelli, Stefano; Grandinetti, Felice; Tarantelli, Francesco

    2015-05-14

    The systems studied in this work are gas-phase weakly bound adducts of the noble-gas (Ng) atoms with CCl{sub 4} and CF{sub 4}. Their investigation was motivated by the widespread current interest for the intermolecular halogen bonding (XB), a structural motif recognized to play a role in fields ranging from elementary processes to biochemistry. The simulation of the static and dynamic behaviors of complex systems featuring XB requires the formulation of reliable and accurate model potentials, whose development relies on the detailed characterization of strength and nature of the interactions occurring in simple exemplary halogenated systems. We thus selected the prototypical Ng-CCl{sub 4} and Ng-CF{sub 4} and performed high-resolution molecular beam scattering experiments to measure the absolute scale of their intermolecular potentials, with high sensitivity. In general, we expected to probe typical van der Waals interactions, consisting of a combination of size (exchange) repulsion with dispersion/induction attraction. For the He/Ne-CF{sub 4}, the analysis of the glory quantum interference pattern, observable in the velocity dependence of the integral cross section, confirmed indeed this expectation. On the other hand, for the He/Ne/Ar-CCl{sub 4}, the scattering data unravelled much deeper potential wells, particularly for certain configurations of the interacting partners. The experimental data can be properly reproduced only including a shifting of the repulsive wall at shorter distances, accompanied by an increased role of the dispersion attraction, and an additional short-range stabilization component. To put these findings on a firmer ground, we performed, for selected geometries of the interacting complexes, accurate theoretical calculations aimed to evaluate the intermolecular interaction and the effects of the complex formation on the electron charge density of the constituting moieties. It was thus ascertained that the adjustments of the potential

  18. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Trending: Metal Oxo Bonds Print Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide

  19. Covalency in Metal-Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory

    SciTech Connect (OSTI)

    Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.; Boland, Kevin S.; Bradley, Joseph A.; Daly, Scott R.; Kozimor, Stosh A.; Lukens, Wayne W.; Martin, Richard L.; Nordlund, Dennis; Seidler, Gerald T.; Shuh, David K.; Sokaras, Dimosthenis; Tyliszczak, Tolek; Wagner, Gregory L.; Weng, Tsu-Chein; Yang, Ping

    2014-01-01

    Advancing theories of how metal oxygen bonding influences metal oxo properties can expose new avenues for innovation in materials science, catalysis, and biochemistry. Historically, spectroscopic analyses of the transition metal peroxyanions, MO4x-, have formed the basis for new M O bonding theories. Herein, relative changes in M O orbital mixing in MO42- (M = Cr, Mo, W) and MO41- (M = Mn, Tc, Re) are evaluated for the first time by non-resonant inelastic X-ray scattering, X-ray absorption spectroscopy using fluorescence and transmission (via a scanning transmission X-ray microscope), and linear-response density functional theory. The results suggest that moving from Group 6 to Group 7 or down the triads increases M O e () mixing. Meanwhile, t2 mixing ( + ) remains relatively constant within the same Group. These unexpected changes in frontier orbital energy and composition are evaluated in terms of periodic trends in d orbital energy and radial extension.

  20. Analytical electron microscopy investigation of elemental composition and bonding structure at the Sb-doped Ni-fully-silicide/SiO{sub 2} interface

    SciTech Connect (OSTI)

    Kawasaki, Naohiko; Sugiyama, Naoyuki; Otsuka, Yuji; Hashimoto, Hideki; Kurata, Hiroki; Isoda, Seiji

    2011-03-15

    It is very important to control the elemental composition and bonding structure at the gate electrode/gate dielectrics interface in metal-oxide-semiconductor transistor devices because this determines the threshold voltage of the gate electrode. In this study, we investigated the structure at the interface between the antimony (Sb)-doped nickel-fully-silicide gate electrode and SiO{sub 2} dielectrics by employing high-spatial resolution techniques such as energy dispersive x-ray spectroscopy and electron energy-loss spectroscopy using a scanning transmission electron microscope. In one region, we found a thin nickel layer at the NiSi/SiO{sub 2} interface originating from the migration of native oxide at the face of the poly-silicon. In another region, a Sb pileup was detected at the NiSi/SiO{sub 2} interface where the Ni L{sub 3}-edge spectrum showed Ni-Sb bonding, then it was suggested that Sb atoms exist at the bottom of NiSi, substituting for Si atoms in NiSi.

  1. Thermoelectric, electronic, optical and chemical bonding properties of Ba{sub 2}PrRuO{sub 6}: At temperature 7 K and 150 K

    SciTech Connect (OSTI)

    Reshak, A.H.; Khan, Wilayat

    2015-01-15

    Highlights: DFT-FPLAPW method used for calculating the electronic structure. The Fermi surface of BPRO (7 K and 150 K) is also calculated. The complex dielectric function has been calculated. Thermoelectric properties were also calculated using BoltzTraP code. Power factor shows that both compounds are good thermoelectric materials at 600 K. - Abstract: We present first principles calculations of the band structure, density of states, electronic charge density, Fermi surface and optical properties of Ba{sub 2}PrRuO{sub 6} single crystals at two different temperatures. The atomic positions were optimized by minimizing the forces acting on the atoms. We have employed the full potential linear augmented plane wave method within local density approximation, generalized gradient approximation and EngelVosko generalized gradient approximation to treat the exchange correlation potential. The calculation shows that the compound is superconductor with strong hybridization near the Fermi energy level. Fermi surface is composed of two sheets. The calculated electronic specific heat capacities indicate, very close agreement with the experimental one. The bonding features of the compounds are analyzed using the electronic charge density in the (1 0 0) and (010) crystallographic planes. The dispersion of the optical constants was calculated and discussed. The thermoelectric properties are also calculated using the BoltzTrap code.

  2. Understanding the bond-energy, hardness, and adhesive force from the phase diagram via the electron work function

    SciTech Connect (OSTI)

    Lu, Hao; Huang, Xiaochen; Li, Dongyang

    2014-11-07

    Properties of metallic materials are intrinsically determined by their electron behavior. However, relevant theoretical treatment involving quantum mechanics is complicated and difficult to be applied in materials design. Electron work function (EWF) has been demonstrated to be a simple but fundamental parameter which well correlates properties of materials with their electron behavior and could thus be used to predict material properties from the aspect of electron activities in a relatively easy manner. In this article, we propose a method to extract the electron work functions of binary solid solutions or alloys from their phase diagrams and use this simple approach to predict their mechanical strength and surface properties, such as adhesion. Two alloys, Fe-Ni and Cu-Zn, are used as samples for the study. EWFs extracted from phase diagrams show same trends as experimentally observed ones, based on which hardness and surface adhesive force of the alloys are predicted. This new methodology provides an alternative approach to predict material properties based on the work function, which is extractable from the phase diagram. This work may also help maximize the power of phase diagram for materials design and development.

  3. Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin

    2015-06-18

    To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine abovemore » the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the porbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.« less

  4. Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine

    SciTech Connect (OSTI)

    Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin

    2015-06-18

    To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine above the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the porbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.

  5. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, CI, Br, I, At, Uus)

    SciTech Connect (OSTI)

    Li, Wan-Lu; Li, Yong; Xu, Congqiao; Wang, Xue B.; Vorpagel, Erich R.; Li, Jun

    2015-12-07

    Systematic theoretical and experimental investigations have been performed to understand the periodicity and electronic structures of trivalent-gold halides using gold tetrahalides [AuX4]⁻ anions (X = F, Cl, Br, I, At, Uus). The [AuX4]⁻ (X = Cl, Br, I) anions were produced in gas phase and their negative-ion photoelectron spectra were obtained, which exhibited rich and well-resolved spectral peaks. We calculated the adiabatic as well as vertical electron detachment energies using density functional methods with scalar and spin-orbit coupling relativistic effects. The simulated photoelectron spectra based on these calculations are in good agreement with the experimental spectra. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) is preferred when the halides become heavier along the Period Table. This trend reveals that the oxidation state of metals in complexes can be manipulated through ligand design

  6. Red Sky with Red Mesa

    SciTech Connect (OSTI)

    2011-04-14

    The Red Sky/Red Mesa supercomputing platform dramatically reduces the time required to simulate complex fuel models, from 4-6 months to just 4 weeks, allowing researchers to accelerate the pace at which they can address these complex problems. Its speed also reduces the need for laboratory and field testing, allowing for energy reduction far beyond data center walls.

  7. Red Sky with Red Mesa

    ScienceCinema (OSTI)

    None

    2014-06-23

    The Red Sky/Red Mesa supercomputing platform dramatically reduces the time required to simulate complex fuel models, from 4-6 months to just 4 weeks, allowing researchers to accelerate the pace at which they can address these complex problems. Its speed also reduces the need for laboratory and field testing, allowing for energy reduction far beyond data center walls.

  8. N-(N-[2-(3,5-Difluorophenyl)acetyl]-(S)-alanyl)-(S)-phenylglycine tert-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features

    SciTech Connect (OSTI)

    Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew

    2010-12-01

    The title compound, C{sub 23}H{sub 26}F{sub 2}N{sub 2}O{sub 4}, is a dipeptidic inhibitor of γ-secretase, one of the enzymes involved in Alzheimer’s dis@@ease. The mol@@ecule adopts a compact conformation, without intra@@molecular hydrogen bonds. In the crystal structure, one of the amide N atoms forms the only inter@@molecular N—H⋯O hydrogen bond; the second amide N atom does not form hydrogen bonds. High-resolution synchrotron diffraction data permitted the unequivocal location and refinement without restraints of all H atoms, and the identification of the characteristic shift of the amide H atom engaged in the hydrogen bond from its ideal position, resulting in a more linear hydrogen bond. Significant residual densities for bonding electrons were revealed after the usual SHELXL refinement, and modeling of these features as additional inter@@atomic scatterers (IAS) using the program PHENIX led to a significant decrease in the R factor from 0.0411 to 0.0325 and diminished the r.m.s. deviation level of noise in the final difference Fourier map from 0.063 to 0.037 e Å{sup −3}.

  9. BREAKING BOND

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    BREAKING BOND the Can chemistry help unbind us from fossil fuels? 1663 July 2016 21 When ... Their goal: to use chemistry to construct gasoline-like hydrocarbons from plant sugars. ...

  10. A near infra-red video system as a protective diagnostic for electron cyclotron resonance heating operation in the Wendelstein 7-X stellarator

    SciTech Connect (OSTI)

    Preynas, M.; Laqua, H. P.; Marsen, S.; Reintrog, A.; Corre, Y.; Moncada, V.; Travere, J.-M.

    2015-11-15

    The Wendelstein 7-X stellarator is a large nuclear fusion device based at Max-Planck-Institut für Plasmaphysik in Greifswald in Germany. The main plasma heating system for steady state operation in W7-X is electron cyclotron resonance heating (ECRH). During operation, part of plama facing components will be directly heated by the non-absorbed power of 1 MW rf beams of ECRH. In order to avoid damages of such components made of graphite tiles during the first operational phase, a near infra-red video system has been developed as a protective diagnostic for safe and secure ECRH operation. Both the mechanical design housing the camera and the optical system are very flexible and respect the requirements of steady state operation. The full system including data acquisition and control system has been successfully tested in the vacuum vessel, including on-line visualization and data storage of the four cameras equipping the ECRH equatorial launchers of W7-X.

  11. Diffusion bonding

    DOE Patents [OSTI]

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  12. Effect of the valence electron concentration on the bulk modulus and chemical bonding in Ta{sub 2}AC and Zr{sub 2}AC (A=Al, Si, and P)

    SciTech Connect (OSTI)

    Schneider, Jochen M.; Music, Denis; Sun Zhimei

    2005-03-15

    We have studied the effect of the valence electron concentration, on the bulk modulus and the chemical bonding in Ta{sub 2}AC and Zr{sub 2}AC (A=Al, Si, and P) by means of ab initio calculations. Our equilibrium volume and the hexagonal ratio (c/a) agree well (within 2.7% and 1.2%, respectively) with previously published experimental data for Ta{sub 2}AlC. The bulk moduli of both Ta{sub 2}AC and Zr{sub 2}AC increase as Al is substituted with Si and P by 13.1% and 20.1%, respectively. This can be understood since the substitution is associated with an increased valence electron concentration, resulting in band filling and an extensive increase in cohesion.

  13. Red Lake Weatherization Project

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    REVIEW RED LAKE WEATHERIZATION PROJECT BERT VAN WERT ENERGY ACTIVITIES COORDINATOR Project Overview To develop the capacity to conduct energy audits Implement energy efficiency measures into Tribal homes Develop a Tribally administered Energy Efficiency Program and business PROJECT LOCATION Our project is located at Red Lake Housing Authority Red Lake Band of Chippewa Indians Red Lake , MN Red Lake Band of Chippewas Area overview Reservation (Diminished Lands) and Surroundings Red Lake Band of

  14. Electron

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    density measurement by differential interferometry W. X. Ding, D. L. Brower, B. H. Deng, and T. Yates Electrical Engineering Department, University of California-Los Angeles, Los Angeles, California 90095 ͑Received 5 May 2006; presented on 10 May 2006; accepted 16 June 2006; published online 26 September 2006͒ A novel differential interferometer is being developed to measure the electron density gradient and its fluctuations. Two separate laser beams with slight spatial offset and frequency

  15. Electron

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Electron thermal transport within magnetic islands in the reversed-field pinch a... H. D. Stephens, 1,b͒ D. J. Den Hartog, 1,3 C. C. Hegna, 1,2 and J. A. Reusch 1 1 Department of Physics, University of Wisconsin-Madison, 1150 University Ave., Madison, Wisconsin 53706, USA 2 Department of Engineering Physics, University of Wisconsin-Madison, 1500 Engineering Drive, Madison, Wisconsin 53706, USA 3 Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas, University of

  16. Defect correlated fluorescent quenching and electron phonon coupling in the spectral transition of Eu{sup 3+} in CaTiO{sub 3} for red emission in display application

    SciTech Connect (OSTI)

    Som, S. E-mail: swarthc@ufs.ac.za; Kumar, Vinod; Kumar, Vijay; Terblans, J. J.; Swart, H. C. E-mail: swarthc@ufs.ac.za; Kunti, A. K.; Dutta, S.; Chowdhury, M.; Sharma, S. K.

    2014-05-21

    This paper reports on the defect correlated self-quenching and spectroscopic investigation of calcium titanate (CaTiO{sub 3}) phosphors. A series of CaTiO{sub 3} phosphors doped with trivalent europium (Eu{sup 3+}) and codoped with potassium (K{sup +}) ions were prepared by the solid state reaction method. The X-ray diffraction results revealed that the obtained powder phosphors consisted out of a single-phase orthorhombic structure and it also indicated that the incorporation of the dopants/co-dopants did not affect the crystal structure. The scanning electron microscopy images revealed the irregular morphology of the prepared phosphors consisting out of ?m sized diameter particles. The Eu{sup 3+} doped phosphors illuminated with ultraviolet light showed the characteristic red luminescence corresponding to the {sup 5}D{sub 0}?{sup 7}F{sub J} transitions of Eu{sup 3+}. As a charge compensator, K{sup +} ions were incorporated into the CaTiO{sub 3}:Eu{sup 3+} phosphors, which enhanced the photoluminescence (PL) intensities depending on the doping concentration of K{sup +}. The concentration quenching of Eu{sup 3+} in this host is discussed in the light of ion-ion interaction, electron phonon coupling, and defect to ion energy transfer. The spectral characteristics and the Eu-O ligand behaviour were determined using the Judd-Ofelt theory from the PL spectra instead of the absorption spectra. The CIE (International Commission on Illumination) parameters were calculated using spectral energy distribution functions and McCamy's empirical formula. Photometric characterization indicated the suitability of K{sup +} compensated the CaTiO{sub 3}:Eu{sup 3+} phosphor for pure red emission in light-emitting diode applications.

  17. Bonding thermoplastic polymers

    DOE Patents [OSTI]

    Wallow, Thomas I.; Hunter, Marion C.; Krafcik, Karen Lee; Morales, Alfredo M.; Simmons, Blake A.; Domeier, Linda A.

    2008-06-24

    We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.

  18. Clean Energy Bond Finance Model: Industrial Development Bonds (IDBs) |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Bond Finance Model: Industrial Development Bonds (IDBs) Clean Energy Bond Finance Model: Industrial Development Bonds (IDBs) Overview of industrial development bonds. Author: Clean Energy and Bond Finance Initiative (CE+BFI) Industrial Development Bonds (IDBs) Fact Sheet More Documents & Publications Reduce Risk, Increase Clean Energy: How States and Cities are Using Old Finance Tools to Scale Up a New Industry Clean Energy and Bond Finance Initiative Financing

  19. Qualified Energy Conservation Bonds (QECBs)

    Broader source: Energy.gov [DOE]

    With tax credit bonds, generally the borrower who issues the bond pays back only the principal of the bond, and the bondholder receives federal tax credits in lieu of the traditional bond interest...

  20. Identification of products containing {single_bond}COOH, {single_bond}OH, and {single_bond}C{double_bond}O in atmospheric oxidation of hydrocarbons

    SciTech Connect (OSTI)

    Yu, J.; Flagan, R.C.; Seinfeld, J.H.

    1998-08-15

    Atmospheric oxidation of hydrocarbons by hydroxyl radicals and ozone leads to products containing {single_bond}COOH, {single_bond}OH, and {single_bond}C{double_bond}O functional groups. The high polarity of such compounds precludes direct GC-MS analysis. In addition, many such compounds often exist in a single sample at trace levels. An analytical method has been developed to identify compounds containing one or more functional groups of carbonyl, carboxy, and hydroxy in atmospheric samples. In the method, {single_bond}C{double_bond}O groups are derivatized using O-(2,3,4,5,6-pentafluorobenzyl) hydroxy amine(PFBHA), and {single_bond}COOH and {single_bond}OH groups are derivatized using a silylation reagent N,O-bis(trimethylsilyl)-trifluoroacetamide (BSTFA). The derivatives are easily resolved by a GC column. The chemical ionization mass spectra of these derivatives exhibit several pseudomolecular ions, allowing unambiguous determination of molecular weights. Functional group identification is accomplished by monitoring the ions in the electron ionization mass spectra that are characteristic of each functional group derivative: m/z 181 for carbonyl and m/z 73 and 75 for carboxyl and hydroxy groups. The method is used to identify products in laboratory studies of ozone oxidation of {alpha}-pinene and {Delta}{sup 3}-carene.

  1. Smart interfacial bonding alloys

    SciTech Connect (OSTI)

    R. Q. Hwang; J. C. Hamilton; J. E. Houston

    1999-04-01

    The goal of this LDRD was to explore the use of the newly discovered strain-stabilized 2-D interfacial alloys as smart interface bonding alloys (SIBA). These materials will be used as templates for the heteroepitaxial growth of metallic thin films. SIBA are formed by two metallic components which mix at an interface to relieve strain and prevent dislocations from forming in subsequent thin film growth. The composition of the SIBA is determined locally by the amount of strain, and therefore can react smartly to areas of the highest strain to relieve dislocations. In this way, SIBA can be used to tailor the dislocation structure of thin films. This project included growth, characterization and modeling of films grown using SIBA templates. Characterization will include atomic imaging of the dislocations structure, measurement of the mechanical properties of the film using interface force microscopy (IFM) and the nanoindenter, and measurement of the electronic structure of the SIBA with synchrotron photoemission. Resistance of films to sulfidation and oxidation will also be examined. The Paragon parallel processing computer will be used to calculate the structure of the SIBA and thin films in order to develop ability to predict and tailor SIBA and thin film behavior. This work will lead to the possible development of a new class of thin film materials with properties tailored by varying the composition of the SIBA, serving as a buffer layer to relieve the strain between the substrate and the thin film. Such films will have improved mechanical and corrosion resistance allowing application as protective barriers for weapons applications. They will also exhibit enhanced electrical conductivity and reduced electromigration making them particularly suitable for application as interconnects and other electronic needs.

  2. Bonded semiconductor substrate

    DOE Patents [OSTI]

    Atwater, Jr.; Harry A. , Zahler; James M.

    2010-07-13

    Ge/Si and other nonsilicon film heterostructures are formed by hydrogen-induced exfoliation of the Ge film which is wafer bonded to a cheaper substrate, such as Si. A thin, single-crystal layer of Ge is transferred to Si substrate. The bond at the interface of the Ge/Si heterostructures is covalent to ensure good thermal contact, mechanical strength, and to enable the formation of an ohmic contact between the Si substrate and Ge layers. To accomplish this type of bond, hydrophobic wafer bonding is used, because as the invention demonstrates the hydrogen-surface-terminating species that facilitate van der Waals bonding evolves at temperatures above 600.degree. C. into covalent bonding in hydrophobically bound Ge/Si layer transferred systems.

  3. BONDING ALUMINUM METALS

    DOE Patents [OSTI]

    Noland, R.A.; Walker, D.E.

    1961-06-13

    A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.

  4. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    in both in technological and biological processes that are often governed by careful control over the physical and chemical properties of metal-oxygen bonds. For example,...

  5. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the...

  6. Qualified Energy Conservation Bonds

    Broader source: Energy.gov [DOE]

    A Qualified Energy Conservation Bond (QECB) is a bond that enables qualified state, tribal, and local government issuers to borrow money at attractive rates to fund energy conservation projects (it is important to note that QECBs are not grants). A QECB is among the lowest-cost public financing tools because the U.S. Department of the Treasury subsidizes the issuer's borrowing costs.

  7. Qualified Energy Conservation Bonds

    Broader source: Energy.gov [DOE]

    Provides an in-depth description of qualified energy conservation bonds, including process and mechanics, case studies, utilization trends, barriers, and regulatory and legal issues. Author: Energy Programs Consortium

  8. Bonding aerogels with polyurethanes

    SciTech Connect (OSTI)

    Matthews, F.M.; Hoffman, D.M.

    1989-11-01

    Aerogels, porous silica glasses with ultra-fine cell size (30nm), are made by a solution gelation (sol-gel) process. The resulting gel is critical point dried to densities from 0.15--0.60 g/cc. This material is machinable, homogeneous, transparent, coatable and bondable. To bond aerogel an adhesive should have long cure time, no attack on the aerogel structure, and high strength. Several epoxies and urethanes were examined to determine if they satisfied these conditions. Bond strengths above 13 psi were found with double bubble and DP-110 epoxies and XI-208/ODA-1000 and Castall U-2630 urethanes. Hardman Kalex Tough Stuff'' A-85 hardness urethane gave 18 psi bond strength. Hardman A-85, Tuff-Stuff'' was selected for further evaluation because it produced bond strengths comparable to the adherend cohesive strength. 5 refs., 2 figs.

  9. Thor's Hammer/Red Storm

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Camp & Jim Tomkins The Design Specification and Initial Implementation of the Red Storm ... technologies Computing domains at Sandia Red Storm is targeting the highest-end market ...

  10. Breaking the Bond

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Breaking the Bond 1663 Los Alamos science and technology magazine Latest Issue:July 2016 past issues All Issues » submit Breaking the Bond Can chemistry help unbind us from fossil fuels? July 21, 2016 info graphic gas pump Accelerating toward a more sustainable future: gas pumps may someday soon contain bio-gasoline made from plants. We are condensing millions of years of fossilization into a few chemical reactions. Fossil fuels are a finite resource. Unfortunately, the existing global

  11. Low temperature material bonding technique

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2002-02-12

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  12. Low Temperature Material Bonding Technique

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2000-10-10

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  13. Epoxy bond and stop etch fabrication method

    DOE Patents [OSTI]

    Simmons, Jerry A.; Weckwerth, Mark V.; Baca, Wes E.

    2000-01-01

    A class of epoxy bond and stop etch (EBASE) microelectronic fabrication techniques is disclosed. The essence of such techniques is to grow circuit components on top of a stop etch layer grown on a first substrate. The first substrate and a host substrate are then bonded together so that the circuit components are attached to the host substrate by the bonding agent. The first substrate is then removed, e.g., by a chemical or physical etching process to which the stop etch layer is resistant. EBASE fabrication methods allow access to regions of a device structure which are usually blocked by the presence of a substrate, and are of particular utility in the fabrication of ultrafast electronic and optoelectronic devices and circuits.

  14. Glassy dynamics of hydrogen-bonded heteroditopic molecules

    SciTech Connect (OSTI)

    Lou, Nan; Wang, Yangyang; Li, Haixia; Sokolov, Alexei P; Xiong, Huiming

    2012-01-01

    A self-complementary heteroditopic molecule composed of thymine and diamidopyridine end groups and a flexible aliphatic interconnecting chain has been synthesized. The glassy dynamics of this hydrogen-bonded supramolecule have been investigated by using dielectric and rheological measurements, in combination with infra-red spectroscopy and solid-state 13C NMR experiments. Decoupling of main dielectric relaxation from viscosity has been found in the vicinity of the glass transition and the temperature dependence of viscosity appears to be stronger than that of dielectric relaxation. The unusual dynamic decoupling phenomenon is ascribed to the chemical/dynamic heterogeneity and formation of hydrogen bonds in the supramolecules.

  15. The site occupation and valence of Mn ions in the crystal lattice of Sr{sub 4}Al{sub 14}O{sub 25} and its deep red emission for high color-rendering white light-emitting diodes

    SciTech Connect (OSTI)

    Chen, Lei; Xue, Shaochan; Chen, Xiuling; Bahader, Ali; Deng, Xiaorong; Zhao, Erlong; Jiang, Yang; Chen, Shifu; Chan, Ting-Shan; Zhao, Zhi; Zhang, Wenhua

    2014-12-15

    Highlights: • Different valences of Mn ions in Sr{sub 4}Al{sub 14}O{sub 25} were identified using XANES and EPR. • Red luminescence was attributed to Mn{sup 4+} occupying the center of AlO{sub 6} octahedron. • The Mn{sup 3+} incorporated in the center of AlO{sub 4} tetrahedron was non-luminescent. • The bond-valence theory was used to analyze the effective valences of cations. • A white LED device with CRI up to Ra 93.23 was packaged by using the red phosphor. - Abstract: The synthesis and component of red phosphor, Sr{sub 4}Al{sub 14}O{sub 25}: Mn, were optimized for application in white light-emitting diodes. The microstructure and morphology were investigated by the X-ray diffraction and scanning electron microscopy. Different valences of Mn ions in Sr{sub 4}Al{sub 14}O{sub 25} were discriminated using the electron paramagnetic resonance and X-ray absorption near-edge structure spectroscopy techniques. The bond-valence theory was used to analyze the effective valences of Sr{sup 2+} and Al{sup 3+} in Sr{sub 4}Al{sub 14}O{sub 25}. As a result, the strong covalence of Al{sup 3+} in the AlO{sub 4} tetrahedron other than in the AlO{sub 6} octahedron is disclosed. The deep red emission is attributed to Mn{sup 4+} occupying the center of AlO{sub 6} octahedron. The mechanism of energy transfer is mainly through dipole–dipole interaction, revealed by the analyses of critical distance and concentration quench. A high color rendering white LED prototype with color-rendering index up to Ra 93.23 packaged by using the red phosphor demonstrates its applicability.

  16. Red | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Red Red Arm Amputation Due to Explosion - University of Hawaii Lessons Learned Read more about Arm Amputation Due to Explosion - University of Hawaii Lessons Learned 2015 LL Chemical Explosion Causes Eye Injury 6-11-15 Read more about 2015 LL Chemical Explosion Causes Eye Injury 6-11-15 12-14-1999 - Sodium Potassium (NaK) Reaction Results in Personnel Injuries Read more about 12-14-1999 - Sodium Potassium (NaK) Reaction Results in Personnel Injuries 11-23-1998 - Update of Type A Investigation of

  17. Diffusion Bonding Characterization

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Diffusion Bonding Characterization - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs

  18. GRAPHITE BONDING METHOD

    DOE Patents [OSTI]

    King, L.D.P.

    1964-02-25

    A process for bonding or joining graphite members together in which a thin platinum foil is placed between the members, heated in an inert atmosphere to a temperature of 1800 deg C, and then cooled to room temperature is described. (AEC)

  19. Photochemical tissue bonding

    DOE Patents [OSTI]

    Redmond, Robert W.; Kochevar, Irene E.

    2012-01-10

    Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.

  20. Bond Program | Open Energy Information

    Open Energy Info (EERE)

    Bond Program Jump to: navigation, search This article is a stub. You can help OpenEI by expanding it. Retrieved from "http:en.openei.orgwindex.php?titleBondProgram&oldid5427...

  1. Walmart Red Bluff | Open Energy Information

    Open Energy Info (EERE)

    Walmart Red Bluff Jump to: navigation, search Name Walmart Red Bluff Facility Walmart Red Bluff Sector Wind energy Facility Type Community Wind Facility Status In Service Owner...

  2. Red Mesa | Open Energy Information

    Open Energy Info (EERE)

    Mesa Jump to: navigation, search Name Red Mesa Facility Red Mesa Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner NextEra Energy Resources...

  3. Low temperature reactive bonding

    DOE Patents [OSTI]

    Makowiecki, Daniel M. (Livermore, CA); Bionta, Richard M. (Livermore, CA)

    1995-01-01

    The joining technique requires no external heat source and generates very little heat during joining. It involves the reaction of thin multilayered films deposited on faying surfaces to create a stable compound that functions as an intermediate or braze material in order to create a high strength bond. While high temperatures are reached in the reaction of the multilayer film, very little heat is generated because the films are very thin. It is essentially a room temperature joining process.

  4. Opportunities in Bond Financing

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Opportunities in Bond Financing James Dack Vice President Alternative Energy Finance Group Stern Brothers & Co. Seattle, WA 98101 Biogas and Fuel Cells Workshop National Renewable Energy Laboratory Golden, Colorado June 11-13, 2012 2 INTRODUCTION * Stern Brothers, founded in 1917 and headquartered in St. Louis, is an investment banking firm that is focused on project financing (taxable and tax-exempt) for renewable energy, real estate, higher education and healthcare. * Stern's Alternative

  5. IMPROVED BONDING METHOD

    DOE Patents [OSTI]

    Padgett, E.V. Jr.; Warf, D.H.

    1964-04-28

    An improved process of bonding aluminum to aluminum without fusion by ultrasonic vibrations plus pressure is described. The surfaces to be bonded are coated with an aqueous solution of alkali metal stearate prior to assembling for bonding. (AEC) O H19504 Present information is reviewed on steady state proliferation, differentiation, and maturation of blood cells in mammals. Data are cited from metabolic tracer studies, autoradiographic studies, cytologic studies, studies of hematopoietic response to radiation injuries, and computer analyses of blood cell production. A 3-step model for erythropoiesis and a model for granulocyte kinetics are presented. New approaches to the study of lymphocytopoiesis described include extracorporeal blood irradiation to deplete lymphocytic tissue without direct injury to the formative tissues as a means to study the stressed system, function control, and rates of proliferation. It is pointed out that present knowledge indicates that lymphocytes comprise a mixed family, with diverse life spans, functions, and migration patterns with apparent aimless recycling from modes to lymph to blood to nodes that has not yet been quantitated. Areas of future research are postulated. (70 references.) (C.H.)

  6. Bonding Tools | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Bonding Tools Bonding Tools Bonds are one of the most common forms of financing used by state and local governments, because they are a low-cost source of capital available to most entities. State and local officials may consider using bonds for a variety of clean energy purposes, including: Financing a specific set of energy upgrades in their own facilities (can be combined with an energy savings performance contract) Capitalizing finance programs (e.g., revolving loan fund) for public sector

  7. Qualified Energy Conservation Bond Webinars

    Broader source: Energy.gov [DOE]

    Provides a listing of past qualified energy conservation bond webinars and associated files. Author: U.S. Department of Energy

  8. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    spectroscopy (XAS) has emerged as an effective method for quantitatively probing electronic structure and orbital mixing in molecules and materials. The presence of...

  9. Low temperature reactive bonding

    DOE Patents [OSTI]

    Makowiecki, D.M.; Bionta, R.M.

    1995-01-17

    The joining technique is disclosed that requires no external heat source and generates very little heat during joining. It involves the reaction of thin multilayered films deposited on faying surfaces to create a stable compound that functions as an intermediate or braze material in order to create a high strength bond. While high temperatures are reached in the reaction of the multilayer film, very little heat is generated because the films are very thin. It is essentially a room temperature joining process. 5 figures.

  10. Solder extrusion pressure bonding process and bonded products produced thereby

    DOE Patents [OSTI]

    Beavis, L.C.; Karnowsky, M.M.; Yost, F.G.

    1992-06-16

    Disclosed is a process for production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about [minus]40 C and 110 C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  11. Solder extrusion pressure bonding process and bonded products produced thereby

    DOE Patents [OSTI]

    Beavis, Leonard C.; Karnowsky, Maurice M.; Yost, Frederick G.

    1992-01-01

    Production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about -40.degree. C. and 110.degree. C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  12. Multilayer roll bonded aluminium foil: processing, microstructure and flow stress

    SciTech Connect (OSTI)

    Barlow, C.Y.; Nielsen, P.; Hansen, N

    2004-08-02

    Bulk aluminium has been produced by warm-rolling followed by cold-rolling of commercial purity (99% purity) aluminium foil. The bonding appeared perfect from observation with the naked eye, light and transmission electron microscopy. By comparison with bulk aluminium of similar purity (AA1200) rolled to a similar strain (90%RA), the roll-bonded metal showed a much higher density of high-angle grain boundaries, similar strength and improved thermal stability. This study has implications for a number of applications in relation to the processing of aluminium. Roll bonding is of interest as a method for grain size refinement; oxide-containing materials have increased strength, enhanced work-hardening behaviour, and exhibit alterations in recrystallisation behaviour. The behaviour of the hard oxide film is of interest in aluminium processing, and has been investigated by characterising the size and distribution of oxide particles in the roll-bonded samples.

  13. Atomically Bonded Transparent Superhydrophobic Coatings

    SciTech Connect (OSTI)

    Aytug, Tolga

    2015-08-01

    Maintaining clarity and avoiding the accumulation of water and dirt on optically transparent surfaces such as US military vehicle windshields, viewports, periscope optical head windows, and electronic equipment cover glasses are critical to providing a high level of visibility, improved survivability, and much-needed safety for warfighters in the field. Through a combination of physical vapor deposition techniques and the exploitation of metastable phase separation in low-alkali borosilicate, a novel technology was developed for the fabrication of optically transparent, porous nanostructured silica thin film coatings that are strongly bonded to glass platforms. The nanotextured films, initially structurally superhydrophilic, exhibit superior superhydrophobicity, hence antisoiling ability, following a simple but robust modification in surface chemistry. The surfaces yield water droplet contact angles as high as 172°. Moreover, the nanostructured nature of these coatings provides increased light scattering in the UV regime and reduced reflectivity (i.e., enhanced transmission) over a broad range of the visible spectrum. In addition to these functionalities, the coatings exhibit superior mechanical resistance to abrasion and are thermally stable to temperatures approaching 500°C. The overall process technology relies on industry standard equipment and inherently scalable manufacturing processes and demands only nontoxic, naturally abundant, and inexpensive base materials. Such coatings, applied to the optical components of current and future combat equipment and military vehicles will provide a significant strategic advantage for warfighters. The inherent self-cleaning properties of such superhydrophobic coatings will also mitigate biofouling of optical windows exposed to high-humidity conditions and can help decrease repair/replacement costs, reduce maintenance, and increase readiness by limiting equipment downtime.

  14. Method of bonding

    DOE Patents [OSTI]

    Saller, deceased, Henry A. (late of Columbus, OH); Hodge, Edwin S. (Columbus, OH); Paprocki, Stanley J. (Columbus, OH); Dayton, Russell W. (Columbus, OH)

    1987-12-01

    1. A method of making a fuel-containing structure for nuclear reactors, comprising providing an assembly comprising a plurality of fuel units; each fuel unit consisting of a core plate containing thermal-neutron-fissionable material, sheets of cladding metal on its bottom and top surfaces, said cladding sheets being of greater width and length than said core plates whereby recesses are formed at the ends and sides of said core plate, and end pieces and first side pieces of cladding metal of the same thickness as the core plate positioned in said recesses, the assembly further comprising a plurality of second side pieces of cladding metal engaging the cladding sheets so as to space the fuel units from one another, and a plurality of filler plates of an acid-dissolvable nonresilient material whose melting point is above 2000.degree. F., each filler plate being arranged between a pair of said second side pieces and the cladding plates of two adjacent fuel units, the filler plates having the same thickness as the second side pieces; the method further comprising enclosing the entire assembly in an envelope; evacuating the interior of the entire assembly through said envelope; applying inert gas under a pressure of about 10,000 psi to the outside of said envelope while at the same time heating the assembly to a temperature above the flow point of the cladding metal but below the melting point of any material of the assembly, whereby the envelope is pressed against the assembly and integral bonds are formed between plates, sheets, first side pieces, and end pieces and between the sheets and the second side pieces; slowly cooling the assembly to room temperature; removing the envelope; and dissolving the filler plates without attacking the cladding metal.

  15. Method for vacuum fusion bonding

    DOE Patents [OSTI]

    Ackler, Harold D.; Swierkowski, Stefan P.; Tarte, Lisa A.; Hicks, Randall K.

    2001-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  16. Fusion bonding and alignment fixture

    DOE Patents [OSTI]

    Ackler, Harold D.; Swierkowski, Stefan P.; Tarte, Lisa A.; Hicks, Randall K.

    2000-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all the components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  17. Bond selective chemistry beyond the adiabatic approximation

    SciTech Connect (OSTI)

    Butler, L.J.

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  18. Red Canyon Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    Canyon Wind Farm Jump to: navigation, search Name Red Canyon Wind Farm Facility Red Canyon Wind Farm Sector Wind energy Facility Type Commercial Scale Wind Facility Status In...

  19. Public Bonding Options | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Bonding Options Public Bonding Options Traditionally, state and local governments (as well as certain other nonprofit organizations such as universities and hospitals) have had the ability to issue debt, in the form of bonds, to finance construction and/or improvements to public infrastructure. Bonds issued by state and local governments-often referred to as municipal or public bonds-can also be used, under certain circumstances for private activities. Public bonds vary by tax liability, as well

  20. Clean Energy Revenue Bond Program

    Broader source: Energy.gov [DOE]

    The bonds are exempt from taxation by the state, and any type of renewable energy system and most energy efficiency measures, including energy recovery and combined heat and power (CHP) systems,...

  1. Low Temperature Material Bonding Techniq Ue

    DOE Patents [OSTI]

    Ramsey, J. Michael; Foote, Robert S.

    2002-08-06

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  2. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    describe bonding in organometallics are at frequently at odds with classical coordination chemistry, in that they invoke a covalent bond between the metal and the carbon-based...

  3. Method to improve commercial bonded SOI material

    DOE Patents [OSTI]

    Maris, Humphrey John; Sadana, Devendra Kumar

    2000-07-11

    A method of improving the bonding characteristics of a previously bonded silicon on insulator (SOI) structure is provided. The improvement in the bonding characteristics is achieved in the present invention by, optionally, forming an oxide cap layer on the silicon surface of the bonded SOI structure and then annealing either the uncapped or oxide capped structure in a slightly oxidizing ambient at temperatures greater than 1200.degree. C. Also provided herein is a method for detecting the bonding characteristics of previously bonded SOI structures. According to this aspect of the present invention, a pico-second laser pulse technique is employed to determine the bonding imperfections of previously bonded SOI structures.

  4. Local Option- Industrial Facilities and Development Bonds

    Broader source: Energy.gov [DOE]

    Under the Utah Industrial Facilities and Development Act, counties, municipalities, and state universities in Utah may issue Industrial Revenue Bonds (IRBs) or Industrial Development Bonds (IDBs)...

  5. New Clean Renewable Energy Bonds | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    New Clean Renewable Energy Bonds New Clean Renewable Energy Bonds New clean renewable energy bonds (CREBs) are tax credit bonds, the proceeds of which are used for capital ...

  6. Crystal structure, electronic structure, and photoluminescent properties of SrMoO{sub 4}:Tb{sup 3+} phosphors

    SciTech Connect (OSTI)

    Park, Sung Wook; Moon, Byung Kee; Jeong, Jung Hyun; Bae, Jong Seong; Kim, Jung Hwan

    2015-10-15

    Highlights: • SrMoO{sub 4}:Tb{sup 3+} phosphor samples were synthesized at different temperatures. • The crystal and electronic structures, and luminescence properties were studied. • The excitation peak shifts to red with increasing the sintering temperature. • The luminescence mechanism of SrMoO{sub 4}:Tb{sup 3+} was suggested. - Abstract: The experimental and theoretical studies of the optical properties of SrMoO{sub 4}:Tb{sup 3+} phosphors were carried out. The structural, optical, and electronical properties of the phosphors were systematically studied. The phosphor samples were crystallized at different temperatures via a sol–gel method. Excitation spectra of SrMoO{sub 4}:Tb{sup 3+} powder samples exhibited gradual red shift and luminescent intensity changed with increasing the sintering temperature. Such spectral changes depend strongly on the crystallographic properties such as lattice parameters and crystallinity. The shift of the excitation spectra is mainly ascribed to the covalent bond interaction between Mo−O bonds. An energy band model was demonstrated to describe the luminescence mechanism in the material.

  7. Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and An Alternative to the Low Barrier Hydrogen-Bond Proposal

    SciTech Connect (OSTI)

    Shokri, Alireza; Wang, Yanping; O'Doherty, George A.; Wang, Xue B.; Kass, Steven R.

    2013-11-27

    We report quantifying the strengths of different types of hydrogen bonds in hydrogen bond networks (HBNs) via measurement of the adiabatic electron detachment energy of the conjugate base of a small covalent polyol model compound (i.e., (HOCH2CH2CH(OH)CH2)2CHOH) in the gas phase and the pKa of the corresponding acid in DMSO. The latter result reveals that the hydrogen bonds to the charged center and those that are one solvation shell further away (i.e., primary and secondary) provide 5.3 and 2.5 pKa units of stabilization per hydrogen bond in DMSO. Computations indicate that these energies increase to 8.4 and 3.9 pKa units in benzene and that the total stabilizations are 16 (DMSO) and 25 (benzene) pKa units. Calculations on a larger linear heptaol (i.e., (HOCH2CH2CH(OH)CH2CH(OH)CH2)2CHOH) reveal that the terminal hydroxyl groups each contribute 0.6 pKa units of stabilization in DMSO and 1.1 pKa units in benzene. All of these results taken together indicate that the presence of a charged center can provide a powerful energetic driving force for enzyme catalysis and conformational changes such as in protein folding due to multiple hydrogen bonds in a HBN.

  8. Bonding Low-density Nanoporous Metal Foams Using Sputtered Solder

    SciTech Connect (OSTI)

    Bono, M; Cervantes, O; Akaba, C; Hamza, A; Foreman, R; Teslich, N

    2007-08-21

    could benefit from the bonding technology developed in this study, such as small-scale lightweight structural members, high-strength thermal insulating layers for electronics, and micro-scale mechanical dampers, to name but a few. Each of these applications requires one or more small metal foam components precisely bonded to a substrate. Several methods for bonding metal foam components have been developed by previous researchers. Macroscopic metal foam parts have been successfully bonded by laser welding to create T-sections and butt joints. Ultrasonic welding has been used to join aluminum sheet metal to aluminum foam for structural applications. These methods work well for bonding large foam components, but reducing these methods to a smaller length scale would be challenging. One method that has shown great potential for bonding layers of metal foams to substrates is a brazing process that uses a sputter-deposited interface material. Shirzadi et al.[9] have demonstrated bonds between stainless steel foam and a stainless steel substrate using a layer of copper-titanium filler metal that is sputtered onto the interface surfaces. The foam pieces that they bonded were approximately 10 mm in diameter and 10 mm thick with a cell size of approximately 200 {micro}m. After depositing the filler material, pressing the materials together, and heating them with an induction heater, bonds were achieved without causing significant damage to the foam. The current study also uses a sputter-deposited interface material to bond foam to a substrate. However, in contrast to previous work, the current study examines bonding microscale pieces of fragile nanoporous metal foam. In this study, a method is developed to bond a thin sheet of fragile, low-density nanoporous copper foam to an aluminum foil substrate of thickness 40 {micro}m. By sputter depositing an indium-silver alloy onto the foam and the substrate, a solder joint with a thickness of less than 2 {micro}m was achieved.

  9. Transient liquid phase ceramic bonding

    DOE Patents [OSTI]

    Glaeser, Andreas M. (Berkeley, CA)

    1994-01-01

    Ceramics are joined to themselves or to metals using a transient liquid phase method employing three layers, one of which is a refractory metal, ceramic or alloy. The refractory layer is placed between two metal layers, each of which has a lower melting point than the refractory layer. The three layers are pressed between the two articles to be bonded to form an assembly. The assembly is heated to a bonding temperature at which the refractory layer remains solid, but the two metal layers melt to form a liquid. The refractory layer reacts with the surrounding liquid and a single solid bonding layer is eventually formed. The layers may be designed to react completely with each other and form refractory intermetallic bonding layers. Impurities incorporated into the refractory metal may react with the metal layers to form refractory compounds. Another method for joining ceramic articles employs a ceramic interlayer sandwiched between two metal layers. In alternative embodiments, the metal layers may include sublayers. A method is also provided for joining two ceramic articles using a single interlayer. An alternate bonding method provides a refractory-metal oxide interlayer placed adjacent to a strong oxide former. Aluminum or aluminum alloys are joined together using metal interlayers.

  10. Thermal Stress and Reliability for Advanced Power Electronics...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Thermal Performance and Reliability of Bonded Interfaces Physics of Failure of Electrical Interconnects Thermal Stress and Reliability for Advanced Power Electronics and Electric ...

  11. INFORMATION REGARDING PERFORMANCE AND PAYMENT BONDS

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    C&BS Form Date: 5-20-2015 1 INFORMATION REGARDING PERFORMANCE AND PAYMENT BONDS I. PERFORMANCE BOND A performance bond secures performance and fulfillment of the Subcontractor's obligations under the subcontract. A performance bond is required in accordance with this subcontract. The Subcontractor shall submit the performance bond to the subcontract administrator within five (5) calendar days after notification of award and prior to starting work for any subcontract exceeding $30,000.00. The

  12. Method and device for secure, high-density tritium bonded with carbon

    DOE Patents [OSTI]

    Wertsching, Alan Kevin; Trantor, Troy Joseph; Ebner, Matthias Anthony; Norby, Brad Curtis

    2016-04-05

    A method and device for producing secure, high-density tritium bonded with carbon. A substrate comprising carbon is provided. A precursor is intercalated between carbon in the substrate. The precursor intercalated in the substrate is irradiated until at least a portion of the precursor, preferably a majority of the precursor, is transmutated into tritium and bonds with carbon of the substrate forming bonded tritium. The resulting bonded tritium, tritium bonded with carbon, produces electrons via beta decay. The substrate is preferably a substrate from the list of substrates consisting of highly-ordered pyrolytic graphite, carbon fibers, carbon nanotunes, buckministerfullerenes, and combinations thereof. The precursor is preferably boron-10, more preferably lithium-6. Preferably, thermal neutrons are used to irradiate the precursor. The resulting bonded tritium is preferably used to generate electricity either directly or indirectly.

  13. Anharmonic Potential Constants and Their Dependence Upon Bond Length

    DOE R&D Accomplishments [OSTI]

    Herschbach, D. R.; Laurie, V. W.

    1961-01-01

    Empirical study of cubic and quartic vibrational force constants for diatomic molecules shows them to be approximately exponential functions of internuclear distance. A family of curves is obtained, determined by the location of the bonded atoms in rows of the periodic table. Displacements between successive curves correspond closely to those in Badger's rule for quadratic force constants (for which the parameters are redetermined to accord with all data now available). Constants for excited electronic and ionic states appear on practically the same curves as those for the ground states. Predictions based on the diatomic correlations agree with the available cubic constants for bond stretching in polyatomic molecules, regardless of the type of bonding involved. Implications of these regularities are discussed. (auth)

  14. Non-bonded ultrasonic transducer

    DOE Patents [OSTI]

    Eoff, J.M.

    1984-07-06

    A mechanically assembled non-bonded ultrasonic transducer includes a substrate, a piezoelectric film, a wetting agent, a thin metal electrode, and a lens held in intimate contact by a mechanical clamp. No epoxy or glue is used in the assembly of this device.

  15. Bonded polyimide fuel cell package

    DOE Patents [OSTI]

    Morse, Jeffrey D.; Jankowski, Alan; Graff, Robert T.; Bettencourt, Kerry

    2010-06-08

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  16. Red Power Energy Documentary Premiere

    Broader source: Energy.gov [DOE]

    Presented by the Indigenous Film & Arts Festival, the documentary film Red Power Energy, told from the Native perspective, presents a portrait of renewable and nonrenewable energy resources on American Indian lands in five states and examines the challenges involved in balancing economic development interests and cultural and environmental concerns.

  17. Electronic structure, molecular bonding and potential energy surfaces

    SciTech Connect (OSTI)

    Ruedenberg, K.

    1993-12-01

    By virtue of the universal validity of the generalized Born-Oppenheimer separation, potential energy surfaces (PES`) represent the central conceptual as well as quantitative entities of chemical physics and provide the basis for the understanding of most physicochemical phenomena in many diverse fields. The research in this group deals with the elucidation of general properties of PES` as well as with the quantitative determination of PES` for concrete systems, in particular pertaining to reactions involving carbon, oxygen, nitrogen and hydrogen molecules.

  18. EA-1692: Red River Environmental Products, LLC Activated Carbon...

    Office of Environmental Management (EM)

    2: Red River Environmental Products, LLC Activated Carbon Manufacturing Facility, Red River Parish, LA EA-1692: Red River Environmental Products, LLC Activated Carbon Manufacturing ...

  19. Red River Biodiesel Ltd | Open Energy Information

    Open Energy Info (EERE)

    Ltd Jump to: navigation, search Name: Red River Biodiesel, Ltd. Place: Houston, Texas Zip: 77006 Product: Red River operates a biodiesel plant in Houstion, Texas with a capacity of...

  20. Red Sun Energy | Open Energy Information

    Open Energy Info (EERE)

    Red Sun Energy Place: Long An Province, Vietnam Product: A Vietnam-based PV module manufacturer References: Red Sun Energy1 This article is a stub. You can help OpenEI by...

  1. Science On Tap - Red Wine and Mars

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Science On Tap - Red Wine and Mars Science On Tap - Red Wine and Mars WHEN: Jun 18, 2015 5:30 PM - 7:00 PM WHERE: UnQuarked Wine Room 145 Central Park Square, Los Alamos, New...

  2. Red Hills Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    Hills Wind Farm Jump to: navigation, search Name Red Hills Wind Farm Facility Red Hills Wind Farm Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service...

  3. Hi Bond Tapes Ltd | Open Energy Information

    Open Energy Info (EERE)

    Hi Bond Tapes Ltd Jump to: navigation, search Name: Hi-Bond Tapes Ltd Place: Northamptonshire, England, United Kingdom Zip: NN17 5TS Product: Northamptonshire-based supplier of...

  4. ORISE Faculty Research Experiences: Dr. Eddie Red

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Eddie Red Professor Makes Important Connections through Research Experience Dr. Eddie Red In ORNL's Chemical Sciences Division, Dr. Eddie Red of Morehouse College studies nanotube characteristics-technology that could impact future solar cells, as well as battery and fuel cells. Eddie C. Red, Ph.D., has longed to set up a functional research laboratory for the training and development of under-represented minorities in physics and engineering at Morehouse College, where he is a professor.

  5. Bonded, walk-off compensated optical elements

    DOE Patents [OSTI]

    Ebbers, Christopher A.

    2003-04-08

    A bonded, walk-off compensated crystal, for use with optical equipment, and methods of making optical components including same.

  6. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Covalent Bonding in Actinide Sandwich Molecules Print Wednesday, 28 May 2014 00:00 Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic

  7. Structural Aspects of Hydrogen Bonding with Nitrate and Sulfate: Design Criteria for Polyalcohol Hosts

    SciTech Connect (OSTI)

    Hay, Benjamin P.; Dixon, David A.; Lumetta, Gregg J.; Vargas, Rubicelia; Garza, Jorge

    2004-01-01

    Organic hosts for oxyanion complexation can be constructed by combining two or more hydrogen bonding sites. The deliberate design of architectures for such hosts requires knowledge of the optimal geometry for the hydrogen bonds formed between the host and the guest. Important structural parameters include the O--H distance, the O--H-D angle, the X-O--H angle, and the X-O--H-D dihedral angle (H-D=hydrogen bond donor, X=any atom). This information can be obtained through the analysis of hydrogen bonding observed in crystal structures and electronic structure calculations on simple gas-phase complexes. In this chapter, we present an analysis of hydrogen bonding structural parameters for alcohol hydrogen donors and the oxygen atom acceptors in nitrate and sulfate.

  8. Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds

    DOE Patents [OSTI]

    Hartwig, John F.; Kawatsura, Motoi; Loeber, Oliver

    2002-01-01

    The present invention is directed to a process for addition of amines to carbon-carbon double bonds in a substrate, comprising: reacting an amine with a compound containing at least one carbon-carbon double bond in the presence a transition metal catalyst under reaction conditions effective to form a product having a covalent bond between the amine and a carbon atom of the former carbon-carbon double bond. The transition metal catalyst comprises a Group 8 metal and a ligand containing one or more 2-electron donor atoms. The present invention is also directed to enantioselective reactions of amine compounds with compounds containing carbon-carbon double bonds, and a calorimetric assay to evaluate potential catalysts in these reactions.

  9. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    SciTech Connect (OSTI)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach that has

  10. Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Bonds (New CREBs) | Department of Energy Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable Energy Bonds (New CREBs) Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable Energy Bonds (New CREBs) Provides a presentation overview of qualified energy conservation bond and new clean renewable energy bonds, including characteristics, mechanics, allocated volume, and other information. Author: U.S. Department of Energy Qualified Energy Conservation Bonds &

  11. Bond strength and stress measurements in thermal barrier coatings

    SciTech Connect (OSTI)

    Gell, M.; Jordan, E.

    1995-12-31

    Thermal barrier coatings have been used extensively in aircraft gas turbines for more than 15 years to insulate combustors and turbine vanes from the hot gas stream. Plasma sprayed thermal barrier coatings (TBCs) provide metal temperature reductions as much as 300{degrees}F, with improvements in durability of two times or more being achieved. The introduction of TBCs deposited by electron beam physical vapor deposition (EB-PVD) processes in the last five years has provided a major improvement in durability and also enabled TBCs to be applied to turbine blades for improved engine performance. This program evaluates the bond strength of yttria stabilized zirconia coatings with MCrAlY and Pt-Al bond coats utilizing diffraction and fluorescence methods.

  12. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  13. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  14. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  15. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  16. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  17. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  18. Formation of structure, phase composition and properties of electro explosion resistant coatings using electron-beam processing

    SciTech Connect (OSTI)

    Romanov, Denis A. E-mail: kos2906@mail.ru E-mail: gromov@physics.sibsiu.ru Sosnin, Kirill V. E-mail: kos2906@mail.ru E-mail: gromov@physics.sibsiu.ru Budovskikh, Evgenij A. E-mail: kos2906@mail.ru E-mail: gromov@physics.sibsiu.ru Gromov, Viktor E. E-mail: kos2906@mail.ru E-mail: gromov@physics.sibsiu.ru Semin, Alexander P. E-mail: kos2906@mail.ru E-mail: gromov@physics.sibsiu.ru

    2014-11-14

    For the first time, the high intensity electron beam modification of electroexplosion composite coatings of MoCu, MoCCu, WCu, WCCu and TiB{sub 2}Cu systems was done. The studies of phase and elemental composition, defective structure conditions of these coatings were carried out. The regimes of electron-beam processing making possible to form the dense, specular luster surface layers having a submicrocrystalline structure were revealed. It was established that electron-beam processing of elecroexplosion spraying of layer of elecroexplosion spraying carried out in the regime of melting results in the formation of structurally and contrationally homogeneous surface layer. Investigation of the effect of electron-beam processing of electroexplosion electroerosion resistant coatings on their tribological properties (wear resistanse and coefficient of friction) and electroerosion resistance was done. It was shown that all the examined costings demonstrate the increase of electroerosion resistance in spark erosion up to 10 times.

  19. Hydrogen Adsorption Induces Interlayer Carbon Bond Formation...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen Adsorption Induces Interlayer Carbon Bond Formation in Supported Few-Layer ... that only a sub-monolayer amount of hydrogen adsorption on the topmost layer results ...

  20. Green Infrastructure Bonds | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    allowing the Department of Business, Economic Development, and Tourism to issue Green Infrastructure Bonds to secture low-cost financing for clean energy installations,...

  1. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in discussions of...

  2. Metal-bonded graphite foam composites

    SciTech Connect (OSTI)

    Menchhofer, Paul A; Klett, James W

    2015-04-28

    A metal-bonded graphite foam composite includes a ductile metal continuous phase and a dispersed phase that includes graphite foam particles.

  3. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    bonds, are vital as industrial or bioinorganic catalysts and as precursors for nanomaterial synthesis. The work at the ALS also provides conclusive evidence for a new form of...

  4. Tire with outer groove containing bonded tube

    DOE Patents [OSTI]

    Welter, Carolin Anna; Chandra, Dinesh; Benedict, Robert Leon

    2016-02-16

    The invention relates generally to a pneumatic rubber tire which contains an outer, annular, circular groove which contains a flexible tube bonded to the walls of the groove.

  5. RESOURCE ENERGY DATA - The RED Book

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    16 Page i Bonneville Power Administration Conservation RESOURCE ENERGY DATA (The RED Book) INTRODUCTION On December 5, 1980, the 96 th Congress passed the Pacific Northwest...

  6. Redding, Connecticut: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Redding, Connecticut: Energy Resources Jump to: navigation, search Equivalent URI DBpedia Coordinates 41.3025955, -73.3834532 Show Map Loading map... "minzoom":false,"mappings...

  7. Redding Electric - Residential and Commercial Energy Efficiency...

    Broader source: Energy.gov (indexed) [DOE]

    REU for Commercial Program Info Sector Name Utility Administrator Redding Electric Utility Website http:www2.reupower.comrebates.asp State California Program Type Rebate...

  8. Characterization of red mud-epoxy intumescent char using surface imaging and micro analysis

    SciTech Connect (OSTI)

    Arogundade, A. I. Megat-Yusoff, P. S. M. Faiz, A.; Bhat, A. H.

    2015-07-22

    In this study, red mud (RM), an oxide waste was proposed as reinforcing, synergistic filler for the traditional epoxy intumescent coating (IC). 5.5 wt% of acid-modified and unmodified red mud were introduced into the basic intumescent formulation of ammonium polyphosphate (APP), pentaerythritol (PER) and melamine (MEL). In order to predict effect of modification on its suitability, Field emission electron scanning microscopy and Fourier transform infra red were used to obtain detailed characteristics such as the cell size, pore distribution, homogeneity and chemical composition of the red mud-epoxy carbonaceous char. Both acid-modified and unmodified RM-filled ICs produced chars with smaller and more closely packed cells compared to chars from the unfilled coating. Both coating types had hard carbonaceous metal phosphate coverings that could act as heat barriers. The unmodified red mud was found to be antagonistic to the intumescent action with an expansion of only 2 times the initial thickness. The leached, low iron-red mud produced an expansion of 15 times the initial thickness, but possessed a hollow interior. From these findings, it may be deduced that while acid leaching of red mud may improve intumescent expansion, it would be necessary to optimize the percent filler loading to improve residual mass.

  9. EA-1692: Red River Environmental Products, LLC Activated Carbon

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Manufacturing Facility, Red River Parish, LA | Department of Energy 2: Red River Environmental Products, LLC Activated Carbon Manufacturing Facility, Red River Parish, LA EA-1692: Red River Environmental Products, LLC Activated Carbon Manufacturing Facility, Red River Parish, LA June 1, 2010 EA-1692: Final Environmental Assessment Construction and Start-Up of an Activated Carbon Manufacturing Facility in Red River Parish, Louisiana June 11, 2010 EA-1692: Finding of No Significant Impact Red

  10. Reduction of low potential electron acceptors requires the CbcL...

    Office of Scientific and Technical Information (OSTI)

    Reduction of low potential electron acceptors requires the CbcL inner membrane cytochrome of Geobacter sulfurreducens Zacharoff, Lori; Chan, Chi Ho (ORCID:0000000265963436); Bond,...

  11. Enhancement in Organic Photovoltaic Efficiency through the Synergistic Interplay of Molecular Donor Hydrogen Bonding and -Stacking

    SciTech Connect (OSTI)

    Shewmon, Nathan; Watkins, Davita; Galindo, Johan; Zerdan, Raghida; Chen, Jihua; Keum, Jong Kahk; Roitberg, Adrian; Xue, Jiangeng; Castellano, Ronald

    2015-07-20

    For organic photovoltaic (OPV) cells based on the bulk heterojunction (BHJ) structure, it remains challenging to rationally control the degree of phase separation and percolation within blends of donors and acceptors to secure optimal charge separation and transport. Reported is a bottom-up, supramolecular approach to BHJ OPVs wherein tailored hydrogen bonding (H-bonding) interactions between π-conjugated electron donor molecules encourage formation of vertically aligned donor π-stacks while simultaneously suppressing lateral aggregation; the programmed arrangement facilitates fine mixing with fullerene acceptors and efficient charge transport. The approach is illustrated using conventional linear or branched quaterthiophene donor chromophores outfitted with terminal functional groups that are either capable or incapable of self-complementary H-bonding. When applied to OPVs, the H-bond capable donors yield a twofold enhancement in power conversion efficiency relative to the comparator systems, with a maximum external quantum efficiency of 64%. H-bond promoted assembly results in redshifted absorption (in neat films and donor:C 60 blends) and enhanced charge collection efficiency despite disparate donor chromophore structure. Both features positively impact photocurrent and fill factor in OPV devices. Film structural characterization by atomic force microscopy, transmission electron microscopy, and grazing incidence wide angle X-ray scattering reveals a synergistic interplay of lateral H-bonding interactions and vertical π-stacking for directing the favorable morphology of the BHJ.

  12. Enhancement in Organic Photovoltaic Efficiency through the Synergistic Interplay of Molecular Donor Hydrogen Bonding and -Stacking

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shewmon, Nathan; Watkins, Davita; Galindo, Johan; Zerdan, Raghida; Chen, Jihua; Keum, Jong Kahk; Roitberg, Adrian; Xue, Jiangeng; Castellano, Ronald

    2015-07-20

    For organic photovoltaic (OPV) cells based on the bulk heterojunction (BHJ) structure, it remains challenging to rationally control the degree of phase separation and percolation within blends of donors and acceptors to secure optimal charge separation and transport. Reported is a bottom-up, supramolecular approach to BHJ OPVs wherein tailored hydrogen bonding (H-bonding) interactions between π-conjugated electron donor molecules encourage formation of vertically aligned donor π-stacks while simultaneously suppressing lateral aggregation; the programmed arrangement facilitates fine mixing with fullerene acceptors and efficient charge transport. The approach is illustrated using conventional linear or branched quaterthiophene donor chromophores outfitted with terminal functional groupsmore » that are either capable or incapable of self-complementary H-bonding. When applied to OPVs, the H-bond capable donors yield a twofold enhancement in power conversion efficiency relative to the comparator systems, with a maximum external quantum efficiency of 64%. H-bond promoted assembly results in redshifted absorption (in neat films and donor:C 60 blends) and enhanced charge collection efficiency despite disparate donor chromophore structure. Both features positively impact photocurrent and fill factor in OPV devices. Film structural characterization by atomic force microscopy, transmission electron microscopy, and grazing incidence wide angle X-ray scattering reveals a synergistic interplay of lateral H-bonding interactions and vertical π-stacking for directing the favorable morphology of the BHJ.« less

  13. The digital trigger system for the RED-100 detector

    SciTech Connect (OSTI)

    Naumov, P. P. Akimov, D. Yu.; Belov, V. A.; Bolozdynya, A. I.; Efremenko, Yu. V.; Kaplin, V. A.

    2015-12-15

    The system for forming a trigger for the liquid xenon detector RED-100 is developed. The trigger can be generated for all types of events that the detector needs for calibration and data acquisition, including the events with a single electron of ionization. In the system, a mechanism of event detection is implemented according to which the timestamp and event type are assigned to each event. The trigger system is required in the systems searching for rare events to select and keep only the necessary information from the ADC array. The specifications and implementation of the trigger unit which provides a high efficiency of response even to low-energy events are considered.

  14. SOLID STATE BONDING OF THORIUM WITH ALUMINUM

    DOE Patents [OSTI]

    Storchhelm, S.

    1959-12-01

    A method is described for bonding thorium and aluminum by placing clean surfaces of thorium and aluminum in contact with each other and hot pressing the metals together in a protective atmosphere at a temperature of about 375 to 575 deg C and at a pressure of at least 10 tsi to effect a bond.

  15. Hydrogen bond dynamics in bulk alcohols

    SciTech Connect (OSTI)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamicsquantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquidalcoholshas attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  16. 1 mil gold bond wire study.

    SciTech Connect (OSTI)

    Huff, Johnathon; McLean, Michael B.; Jenkins, Mark W.; Rutherford, Brian Milne

    2013-05-01

    In microcircuit fabrication, the diameter and length of a bond wire have been shown to both affect the current versus fusing time ratio of a bond wire as well as the gap length of the fused wire. This study investigated the impact of current level on the time-to-open and gap length of 1 mil by 60 mil gold bond wires. During the experiments, constant current was provided for a control set of bond wires for 250ms, 410ms and until the wire fused; non-destructively pull-tested wires for 250ms; and notched wires. The key findings were that as the current increases, the gap length increases and 73% of the bond wires will fuse at 1.8A, and 100% of the wires fuse at 1.9A within 60ms. Due to the limited scope of experiments and limited data analyzed, further investigation is encouraged to confirm these observations.

  17. Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with covalently-bound hexafluoroisopropanol groups

    SciTech Connect (OSTI)

    Fifield, Leonard S.; Grate, Jay W.

    2010-06-01

    Fluorinated hydrogen-bond acidic groups are directly attached to the backbone of single walled carbon nanotubes (SWCNTs) without the introduction of intermediate electron donating surface groups. Hexafluoroalcohol functional groups are exceptionally strong hydrogen bond acids, and are added to the nanotube surface using the aryl diazonium approach to create hydrogen-bond acidic carbon nanotube (CNT) surfaces. These groups can promote strong hydrogen-bonding interactions with matrix materials in composites or with molecular species to be concentrated and sensed. In the latter case, this newly developed material is expected to find useful application in chemical sensors and in CNT-based preconcentrator devices for the detection of pesticides, chemical warfare agents and explosives.

  18. Modeling and simulation of Red Teaming. Part 1, Why Red Team M&S?

    SciTech Connect (OSTI)

    Skroch, Michael J.

    2009-11-01

    Red teams that address complex systems have rarely taken advantage of Modeling and Simulation (M&S) in a way that reproduces most or all of a red-blue team exchange within a computer. Chess programs, starting with IBM's Deep Blue, outperform humans in that red-blue interaction, so why shouldn't we think computers can outperform traditional red teams now or in the future? This and future position papers will explore possible ways to use M&S to augment or replace traditional red teams in some situations, the features Red Team M&S should possess, how one might connect live and simulated red teams, and existing tools in this domain.

  19. Electron radiography

    DOE Patents [OSTI]

    Merrill, Frank E.; Morris, Christopher

    2005-05-17

    A system capable of performing radiography using a beam of electrons. Diffuser means receive a beam of electrons and diffuse the electrons before they enter first matching quadrupoles where the diffused electrons are focused prior to the diffused electrons entering an object. First imaging quadrupoles receive the focused diffused electrons after the focused diffused electrons have been scattered by the object for focusing the scattered electrons. Collimator means receive the scattered electrons and remove scattered electrons that have scattered to large angles. Second imaging quadrupoles receive the collimated scattered electrons and refocus the collimated scattered electrons and map the focused collimated scattered electrons to transverse locations on an image plane representative of the electrons' positions in the object.

  20. Sigurd Red Butte No2 | Open Energy Information

    Open Energy Info (EERE)

    Sigurd Red Butte No2 Jump to: navigation, search NEPA Document Collection for: Sigurd Red Butte No2 EIS for NA Sigurd to Red Butte No. 2 345kV Transmission Project General NEPA...

  1. Boosting investor yields through bond insurance

    SciTech Connect (OSTI)

    Mosbacher, M.L.; Burkhardt, D.A.

    1993-02-01

    The market for utility securities generally tends to be fairly static. Innovative financing techniques are rarely used because of the marketability of utility securities stemming from the companies' generally strong financial credit and the monopoly markets most utilities serve. To many people, utility securities are considered the pillars of the financial world, and innovation is not needed. Further, plain vanilla utility issues are easily understood by investors, as well as by regulators and customers. Over the past several years, however, a new utility bond product has crept into the world of utility securities - insured secondary utility bonds. These insured bonds may possibly be used as an alternative financing technique for newly issued debt. Individual investors often tend to rely on insurance as a tool for reducing credit risk and are willing to take the lower yields as a tradeoff. Insured utility bonds are created by brokerage firms through the acqusition of a portion of an outstanding utility bond issue and subsequent solicitation of the insurance companies for bids. The insurance company then agrees to insure that portion of the issue until maturity for a fee, and the brokerage firm sells those bonds to their customers as a AAA-insured bond. Issuers are encouraged to explore the retail market as a financing alternative. They may find a most cost-effective means of raising capital.

  2. Process Of Bonding Copper And Tungsten

    DOE Patents [OSTI]

    Slattery, Kevin T.; Driemeyer, Daniel E.; Davis, John W.

    2000-07-18

    Process for bonding a copper substrate to a tungsten substrate by providing a thin metallic adhesion promoting film bonded to a tungsten substrate and a functionally graded material (FGM) interlayer bonding the thin metallic adhesion promoting film to the copper substrate. The FGM interlayer is formed by sintering a stack of individual copper and tungsten powder blend layers having progressively higher copper content/tungsten content, by volume, ratio values in successive powder blend layers in a lineal direction extending from the tungsten substrate towards the copper substrate. The resulting copper to tungsten joint well accommodates the difference in the coefficient of thermal expansion of the materials.

  3. Surface preparation of adhesively bonded joints

    SciTech Connect (OSTI)

    Hogg, I.C.; Janardhana, M.N.

    1993-12-31

    For the bonding of structures, it is essential that correct surface preparation is completed to ensure both a reliable and a durable bond. In a controlled environment this can be achieved easily, but difficulties can occur in the field. This paper is a compilation of research completed in the area of surface preparation for the bonding of aluminum and graphite epoxy composites. Finite element analysis software MSC/NASTRAN has been used to investigate the effect of adhesion on the strength and failure characteristics of a single lap joint.

  4. Enhanced visible light photocatalytic property of red phosphorus via surface roughening

    SciTech Connect (OSTI)

    Li, Weibing; Yue, Jiguang; Hua, Fangxia; Feng, Chang; Bu, Yuyu; Chen, Zhuoyuan

    2015-10-15

    Highlights: • Photocatalytic RhB degradation of red phosphorus was studied for the first time. • Surface rough can increase the photocatalysis reaction active sites. • Surface rough red phosphorus possesses high photocatalytic performance. • Surface rough red phosphorus has high industrial application value. - Abstract: Red phosphorus with rough surface (SRP) was prepared by catalyst-assisted hydrothermal synthesis using Co{sup 2+} catalyst. The photocatalytic Rhodamine B (RhB) degradation of red phosphorus (RP) and SRP was studied for the first time in this work. Rough surface can enhance the dye adsorption ability of RP. About 75% RhB was absorbed by SRP after 30-min adsorption in 100 ml RhB solution with concentration of 10 mg l{sup −1} in dark. After only 10 min of illumination by visible light, more than 95% RhB was degraded, indicating that SRP has a great application potential in the area of photocatalysis. The photocatalytic RhB degradation properties of RP are much weaker than those of SRP. The increase of the number of the active sites for the photocatalytic reactions, the electron mobility and the lifetime of the photogenerated electrons cause the significant improvement of the photocatalytic performance of SRP based on the experimental results obtained.

  5. Renewable Energy Development Group Ltd RED | Open Energy Information

    Open Energy Info (EERE)

    Group Ltd RED Jump to: navigation, search Name: Renewable Energy Development Group Ltd (RED) Place: Edinburgh, United Kingdom Zip: EH1 2DP Sector: Biomass, Hydro, Wind energy...

  6. U-200: Red Hat Directory Server Information Disclosure Security...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    0: Red Hat Directory Server Information Disclosure Security Issue and Vulnerability U-200: Red Hat Directory Server Information Disclosure Security Issue and Vulnerability June 27,...

  7. Red River Hot Springs Geothermal Area | Open Energy Information

    Open Energy Info (EERE)

    Red River Hot Springs Geothermal Area Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Red River Hot Springs Geothermal Area Contents 1 Area Overview 2 History and...

  8. Town of Red Springs, North Carolina (Utility Company) | Open...

    Open Energy Info (EERE)

    Help Apps Datasets Community Login | Sign Up Search Page Edit with form History Town of Red Springs, North Carolina (Utility Company) Jump to: navigation, search Name: Red Springs...

  9. T-678: Red Hat Enterprise Virtualization Hypervisor VLAN Packet...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    8: Red Hat Enterprise Virtualization Hypervisor VLAN Packet Processing Flaw Lets Remote Users Deny Service T-678: Red Hat Enterprise Virtualization Hypervisor VLAN Packet...

  10. MHK Technologies/RED HAWK | Open Energy Information

    Open Energy Info (EERE)

    RED HAWK < MHK Technologies Jump to: navigation, search << Return to the MHK database homepage RED HAWK.jpg Technology Profile Primary Organization Natural Currents Energy Services...

  11. Red River Hot Springs Pool & Spa Low Temperature Geothermal Facility...

    Open Energy Info (EERE)

    Springs Pool & Spa Low Temperature Geothermal Facility Jump to: navigation, search Name Red River Hot Springs Pool & Spa Low Temperature Geothermal Facility Facility Red River Hot...

  12. Renewable Energies Development RED 2002 | Open Energy Information

    Open Energy Info (EERE)

    Development RED 2002 Jump to: navigation, search Name: Renewable Energies Development (RED) 2002 Place: Rome, Italy Zip: 142 Product: PV systems integrator. Coordinates:...

  13. City of Red Cloud, Nebraska (Utility Company) | Open Energy Informatio...

    Open Energy Info (EERE)

    Red Cloud, Nebraska (Utility Company) Jump to: navigation, search Name: Red Cloud Municipal Power Place: Nebraska Phone Number: 402-746-2215 Website: www.redcloudnebraska.comgover...

  14. Belgium's Red Electrical Devils Win $1 Million for Innovative...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Belgium's Red Electrical Devils Win 1 Million for Innovative Inverter Design NREL ... Google and IEEE announced today that Belgium's Red Electrical Devils, a team from CE+T ...

  15. City of Redding, California (Utility Company) | Open Energy Informatio...

    Open Energy Info (EERE)

    City of Redding, California (Utility Company) Jump to: navigation, search Name: City of Redding Place: California Phone Number: 530.245.7000 Website: www.reupower.com Outage...

  16. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Surprising Path for Proton Transfer Without Hydrogen Bonds Print Hydrogen bonds are found everywhere in chemistry and biology and are critical in DNA and RNA. A hydrogen bond...

  17. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Surprising Path for Proton Transfer Without Hydrogen Bonds A Surprising Path for Proton Transfer Without Hydrogen Bonds Print Wednesday, 25 July 2012 00:00 Hydrogen bonds are...

  18. Clean Energy and Bond Finance Initiative | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Clean Energy and Bond Finance Initiative Clean Energy and Bond Finance Initiative Provides information on Clean Energy and Bond Finance Initiative (CE+BFI). CE+BFI brings together public infrastructure finance agencies, clean energy public fund managers and institutional investors across the country to explore how to raise capital at scale for clean energy development through bond financing. Author: Clean Energy and Bond Finance Initiative Clean Energy and Bond Finance Initiative Website More

  19. Producing microchannels using graduated diffusion bonding of...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of precision machined foils or sheets (laminates) to make a micro-channel reactor A novel multi-step process for the diffusion bonding of laminates National Energy Technology...

  20. Method for forming or bonding a liner

    DOE Patents [OSTI]

    Prevender, Thomas S.

    1980-01-01

    A process and means for forming or bonding a liner to a shell or element wherein the liner is filled with or immersed in water and a portion of the water is frozen.

  1. Local Option- Energy Efficiency Project Bonds

    Broader source: Energy.gov [DOE]

    On March 2015, the Arkansas legislature passed SB 896 or the “Local Government Energy Efficiency Project Bond Act” which provides enabling legislation for a municipality or a county to issue energy...

  2. Cement Bond Log | Open Energy Information

    Open Energy Info (EERE)

    casing and cement and between cement and borehole wall. Most cement-bond logs are a measurement only of the amplitude of the early arriving casing signal. Although a small...

  3. Syntactic foam composites and bonding. Final report

    SciTech Connect (OSTI)

    McWhirter, R.J.

    1980-09-01

    A manufacturing process has been developed to produce billets molded from a composite of carbon microspheres, a polyimide resin, and carbon fibers. The billets then are machined to configuration which results in extremely sharp and fragile edges on one part. To strengthen these parts, a parylene coating is applied, after which the parts are assembled with other parts by bonding. Bonding and assembly problems are discussed in detail; other problems encountered are summarized, and several are referenced to previous reports.

  4. Method of bonding metals to ceramics

    DOE Patents [OSTI]

    Maroni, Victor A.

    1991-01-01

    A ceramic or glass having a thin layer of silver, gold or alloys thereof at the surface thereof. A first metal is bonded to the thin layer and a second metal is bonded to the first metal. The first metal is selected from the class consisting of In, Ga, Sn, Bi, Zn, Cd, Pb, Tl and alloys thereof, and the second metal is selected from the class consisting of Cu, Al, Pb, An and alloys thereof.

  5. Opportunities in Bond Financing | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    in Bond Financing Opportunities in Bond Financing Presentation about financial options and opportunities for biogas and fuel cells. Presented by James Dack, Stern Brothers, at the NREL/DOE Biogas and Fuel Cells Workshop held June 11-13, 2012, in Golden, Colorado. june2012_biogas_workshop_dack.pdf (154.9 KB) More Documents & Publications Leveraging Federal Funds Biogas and Fuel Cells Workshop Summary Report: Proceedings from the Biogas and Fuel Cells Workshop, Golden, Colorado, June 11-13,

  6. Method of bonding metals to ceramics

    DOE Patents [OSTI]

    Maroni, V.A.

    1991-04-23

    A ceramic or glass having a thin layer of silver, gold or alloys thereof at the surface thereof is disclosed. A first metal is bonded to the thin layer and a second metal is bonded to the first metal. The first metal is selected from the class consisting of In, Ga, Sn, Bi, Zn, Cd, Pb, Tl and alloys thereof, and the second metal is selected from the class consisting of Cu, Al, Pb, Au and alloys thereof. 3 figures.

  7. An unusual carbon-carbon bond cleavage reaction during phosphinothrici...

    Office of Scientific and Technical Information (OSTI)

    An unusual carbon-carbon bond cleavage reaction during phosphinothricin biosynthesis Citation Details In-Document Search Title: An unusual carbon-carbon bond cleavage reaction ...

  8. Photochemical route to actinide-transition metal bonds: synthesis...

    Office of Scientific and Technical Information (OSTI)

    bonds: synthesis, characterization and reactivity of a series of thorium and uranium ... bonds: synthesis, characterization and reactivity of a series of thorium and uranium ...

  9. Fitzgerald Wtr Lgt & Bond Comm | Open Energy Information

    Open Energy Info (EERE)

    Fitzgerald Wtr Lgt & Bond Comm Jump to: navigation, search Name: Fitzgerald Wtr Lgt & Bond Comm Place: Georgia Phone Number: (229) 426-5400 Website: fitzutilities.com Outage...

  10. Taking Advantage of Qualified Energy Conservation Bonds (QECBs...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Advantage of Qualified Energy Conservation Bonds (QECBs) Taking Advantage of Qualified Energy Conservation Bonds (QECBs) This webinar, held on Sept. 22, 2010, provides information ...

  11. FITCH RATES ENERGY NORTHWEST, WA'S ELECTRIC REV RFDG BONDS 'AA...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    debt (4.1 billion). KEY RATING DRIVERS BONNEVILLE'S OBLIGATION SECURES BONDS: The rating on the Energy Northwest bonds reflects the credit quality of Bonneville and its...

  12. Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Provides a presentation overview of qualified energy conservation bond and new clean renewable energy bonds, including characteristics, mechanics, allocated volume, and other ...

  13. Peer Exchange Call on Financing and Revenue: Bond Funding | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Peer Exchange Call on Financing and Revenue: Bond Funding Peer Exchange Call on Financing and Revenue: Bond Funding Better Buildings Neighborhood Program Peer Exchange Call on ...

  14. Intramolecular hydrogen bonding as a synthetic tool to induce...

    Office of Scientific and Technical Information (OSTI)

    hydrogen bonding as a synthetic tool to induce chemical selectivity in acid catalyzed porphyrin synthesis Citation Details In-Document Search Title: Intramolecular hydrogen bonding ...

  15. Host compounds for red phosphorescent OLEDs

    SciTech Connect (OSTI)

    Xia, Chuanjun; Cheon, Kwang -Ohk

    2015-08-25

    Novel compounds containing a triphenylene moiety linked to an .alpha..beta. connected binaphthyl ring system are provided. These compounds have surprisingly good solubility in organic solvents and are useful as host compounds in red phosphorescent OLEDs.

  16. Redding Electric- Renewable Energy Rebate Program

    Broader source: Energy.gov [DOE]

    The Earth Advantage Rebate Program was designed to offer rebates to residential and business customers of Redding Electric Utility (REU) for solar PV, solar thermal, and geothermal heat pump...

  17. Electron Microscopy > Analytical Resources > Research > The Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Center at Cornell Analytical Resources In This Section Differential Electrochemical Mass Spectroscopy (DEMS) Electron Microscopy X-Ray Diffraction Electron Microscopy Aberration-Corrected Electron Microscope Facility Electron microscopy provides atomic-resolution images of the structure, composition and bonding of our fuel cells and their components. Three-dimensional images of catalyst particles and their support materials are constructed using electron tomography - a similar

  18. Pancake π–π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tian, Yong-Hui; Sumpter, Bobby G.; Du, Shiyu; Huang, Jingsong

    2015-06-03

    Phenalenyl is an important neutral pi-radical due to its capability to form unconventional pancake pi-pi bonding interactions, whereas its analogues with graphitic boron (B) or nitrogen (N)-doping have been regarded as closed-shell systems and therefore received much less attention. By using high-level quantum chemistry calculations, we also show that the B- and N-doped closed-shell phenalenyls unexpectedly form open-shell singlet pi-dimers with diradicaloid character featuring 2e/all-sites double pi-pi bonding. Moreover, by proper substitutions, the doped phenalenyl derivatives can be made open-shell species that form closed shell singlet pi-dimers bound by stronger 4e/all-sites double pi-pi bonding. Moreover, covalent pi-pi bonding overlap ismore » distributed on all of the atomic sites giving robust and genuine pancake-shaped pi-dimers which, depending on the number of electrons available in the bonding interactions, are equally or more stable than the pi-dimers of the pristine phenalenyl.« less

  19. Guidance for Energy Efficiency and Conservation Block Grant Grantees on Qualified Energy Conservation Bonds and New Clean Renewable Energy Bonds

    Broader source: Energy.gov [DOE]

    Guidance for Energy Efficiency and Conservation Block Grant Program grantees regarding Qualified Energy Conservation Bonds (QECBs) and New Clean Renewable Energy Bonds (New CREBs)

  20. EERE: VTO - Red Leaf PNG Image | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Red Leaf PNG Image EERE: VTO - Red Leaf PNG Image red_leaf_18215.png (11.54 MB) More Documents & Publications EERE: VTO - Hybrid Bus PNG Image EERE: VTO - UPS Truck PNG Image RedLeaf Resources Ecoshale Project

  1. Bonded Bracket Assmebly for Frameless Solar Panels

    SciTech Connect (OSTI)

    Murray, Todd; Jackson, Nick; Dupont, Luc; Moser, Jeff

    2013-01-30

    In February 2011 the US Department of Energy announced their new Sunshot Initiative. The Sunshot goal is to reduce the total cost of solar energy systems by about 75 percent before the end of the decade. The DOE estimated that a total installed cost of $$1 per watt for photovoltaic systems would be equivalent to 5-6¢/kilowatt hour (kWh) for energy available from the grid. The DOE also estimated that to meet the $1 per watt goal, PV module costs would need to be reduced to $ .50 per watt, balance of systems costs would need to be reduced to $.40 per watt, and power electronic costs would need to reach $.10 per watt. To address the BOS balance of systems cost component of the $1 per watt goal, the DOE announced a funding opportunity called (BOS-X) Extreme Balance of System Hardware Cost Reductions. The DOE identified eight areas within the total BOS costs: 1) installation labor, 2) installation materials, 3) installation overhead and profit, 4) tracker, 5) permitting and commissioning, 6) site preparation, 7) land acquisition, 8) sales tax. The BOS-X funding announcement requested applications in four specific topics;Topic 1: Transformational Building Integrated Photovoltaic (BIPV) Modules; Topic 2: Roof and Ground Mount Innovations; Topic 3: Transformational Photovoltaic System Designs; and Topic 4: Development of New Wind Load Codes for PV Systems.The application submitted by ARaymond Tinnerman reflected the requirements listed in Topic #2, Roof and Ground Mount Innovations. The goal of topic #2 was to develop technologies that would result in the extreme reduction of material and labor costs associated with applications that require physical connections and attachments to roof and ground mount structures. The topics researched in this project included component cost reduction, labor reduction, weight reduction, wiring innovations, and alternative material utilization. The project objectives included; 1) The development of an innovative quick snap bracket assembly

  2. Performance and Reliability of Bonded Interfaces for High-Temperature Packaging (Presentation)

    SciTech Connect (OSTI)

    Devoto, D.

    2014-11-01

    The thermal performance and reliability of sintered-silver is being evaluated for power electronics packaging applications. This will be experimentally accomplished by the synthesis of large-area bonded interfaces between metalized substrates that will be subsequently subjected to thermal cycles. A finite element model of crack initiation and propagation in these bonded interfaces will allow for the interpretation of degradation rates by a crack-velocity (V)-stress intensity factor (K) analysis. The experiment is outlined, and the modeling approach is discussed.

  3. Infrared Multiphoton Dissociation Spectroscopy of a Gas-Phase Complex of Uranyl and 3-Oxa-Glutaramide: An Extreme Red-Shift of the [O=U=O]²⁺ Asymmetric Stretch

    SciTech Connect (OSTI)

    Gibson, John K.; Hu, Hanshi; Van Stipdonk, Michael J.; Berden, Giel; Oomens, Jos; Li, Jun

    2015-04-09

    The gas-phase complex UO₂(TMOGA)₂²⁺ (TMOGA = tetramethyl-3-oxa-glutaramide) prepared by electrospray ionization was characterized by infrared multiphoton dissociation (IRMPD) spectroscopy. The IRMPD spectrum from 700–1800 cm⁻¹ was interpreted using a computational study based on density functional theory. The predicted vibrational frequencies are in good agreement with the measured values, with an average deviation of only 8 cm⁻¹ (<1%) and a maximum deviation of 21 cm⁻¹ (<2%). The only IR peak assigned to the linear uranyl moiety was the asymmetric ν₃ mode, which appeared at 965 cm⁻¹ and was predicted by DFT as 953 cm⁻¹. This ν₃ frequency is red-shifted relative to bare uranyl, UO₂²⁺, by ca. 150 cm⁻¹ due to electron donation from the TMOGA ligands. Based on the degree of red-shifting, it is inferred that two TMOGA oxygen-donor ligands have a greater effective gas basicity than the four monodentate acetone ligands in UO₂(acetone)₄²⁺. The uranyl ν₃ frequency was also computed for uranyl coordinated by two TMGA ligands, in which the central Oether of TMOGA has been replaced by CH₂. The computed ν₃ for UO₂(TMGA)₂²⁺, 950 cm⁻¹, is essentially the same as that for UO₂(TMOGA)₂²⁺, suggesting that electron donation to uranyl from the Oether of TMOGA is minor. The computed ν₃ asymmetric stretching frequencies for the three actinyl complexes, UO₂(TMOGA)₂²⁺, NpO₂(TMOGA)₂²⁺ and PuO₂(TMOGA)₂²⁺, are comparable. This similarity is discussed in the context of the relationship between ν₃ and intrinsic actinide-oxygen bond energies in actinyl complexes.

  4. Qualified Energy Conservation Bond State-by-State Summary Tables

    Broader source: Energy.gov [DOE]

    Provides a list of qualified energy conservation bond state summary tables. Author: Energy Programs Consortium

  5. 7X performance results - final report : ASCI Red vs Red Storm.

    SciTech Connect (OSTI)

    Dinge, Dennis C.; Davis, Michael E.; Haskell, Karen H.; Ballance, Robert A.; Gardiner, Thomas Anthony; Stevenson, Joel O.; Noe, John P.

    2011-04-01

    The goal of the 7X performance testing was to assure Sandia National Laboratories, Cray Inc., and the Department of Energy that Red Storm would achieve its performance requirements which were defined as a comparison between ASCI Red and Red Storm. Our approach was to identify one or more problems for each application in the 7X suite, run those problems at multiple processor sizes in the capability computing range, and compare the results between ASCI Red and Red Storm. The first part of this report describes the two computer systems, the applications in the 7X suite, the test problems, and the results of the performance tests on ASCI Red and Red Storm. During the course of the testing on Red Storm, we had the opportunity to run the test problems in both single-core mode and dual-core mode and the second part of this report describes those results. Finally, we reflect on lessons learned in undertaking a major head-to-head benchmark comparison.

  6. Direct cooled power electronics substrate

    DOE Patents [OSTI]

    Wiles, Randy H [Powell, TN; Wereszczak, Andrew A [Oak Ridge, TN; Ayers, Curtis W. [Kingston, TN; Lowe, Kirk T. [Knoxville, TN

    2010-09-14

    The disclosure describes directly cooling a three-dimensional, direct metallization (DM) layer in a power electronics device. To enable sufficient cooling, coolant flow channels are formed within the ceramic substrate. The direct metallization layer (typically copper) may be bonded to the ceramic substrate, and semiconductor chips (such as IGBT and diodes) may be soldered or sintered onto the direct metallization layer to form a power electronics module. Multiple modules may be attached to cooling headers that provide in-flow and out-flow of coolant through the channels in the ceramic substrate. The modules and cooling header assembly are preferably sized to fit inside the core of a toroidal shaped capacitor.

  7. Red mud characterization using nuclear analytical techniques

    SciTech Connect (OSTI)

    Obhodas, J.; Sudac, D.; Matjacic, L.; Valkovic, V.

    2011-07-01

    Red mud is a toxic waste left as a byproduct in aluminum production Bayer process. Since it contains significant concentrations of other chemical elements interesting for industry, including REE, it is also potential secondary ore source. Recent events in some countries have shown that red mud presents a serious environmental hazard if not properly stored. The subject of our study is the red mud from an ex-aluminum plant in Obrovac, Croatia, left from processing of bauxite mined during late 70's and early 80's at the eastern Adriatic coast and since than stored in open concrete basins for more than 30 years. We have used energy dispersive x-ray fluorescence analysis (both tube and radioactive source excitation), fast neutron activation analysis and passive gamma spectrometry to identify a number of elements present in the red mud, their concentration levels and radioactivity in the red mud. The high concentrations of Al, Si, Ca, Ti and Fe have been measured. Chemical elements Sc, Cr, Mn, Co, Ni, Cu, Zn, Ga, As, Se, Br, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Pb, Th and U were found in lower concentrations. No significant levels of radioactivity have been measured. (authors)

  8. Electronic Structure Theory | Materials Science | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Electronic Structure Theory An image of multiple, interconnecting red and blue particles Using high-performance computing, NREL applies electronic structure theory to design and discover materials for energy applications. This includes detailed studies of the physical mechanisms that determine the material's behavior on an atomistic level. Learn more about high-performance computing. Key Research Areas Materials by Design NREL leads the U.S. Department of Energy's Center for Next Generation of

  9. Bonded ultrasonic transducer and method for making

    DOE Patents [OSTI]

    Dixon, Raymond D.; Roe, Lawrence H.; Migliori, Albert

    1995-01-01

    An ultrasonic transducer is formed as a diffusion bonded assembly of piezoelectric crystal, backing material, and, optionally, a ceramic wear surface. The mating surfaces of each component are silver films that are diffusion bonded together under the application of pressure and heat. Each mating surface may also be coated with a reactive metal, such as hafnium, to increase the adhesion of the silver films to the component surfaces. Only thin silver films are deposited, e.g., a thickness of about 0.00635 mm, to form a substantially non-compliant bond between surfaces. The resulting transducer assembly is substantially free of self-resonances over normal operating ranges for taking resonant ultrasound measurements.

  10. Bonded ultrasonic transducer and method for making

    DOE Patents [OSTI]

    Dixon, R.D.; Roe, L.H.; Migliori, A.

    1995-11-14

    An ultrasonic transducer is formed as a diffusion bonded assembly of piezoelectric crystal, backing material, and, optionally, a ceramic wear surface. The mating surfaces of each component are silver films that are diffusion bonded together under the application of pressure and heat. Each mating surface may also be coated with a reactive metal, such as hafnium, to increase the adhesion of the silver films to the component surfaces. Only thin silver films are deposited, e.g., a thickness of about 0.00635 mm, to form a substantially non-compliant bond between surfaces. The resulting transducer assembly is substantially free of self-resonances over normal operating ranges for taking resonant ultrasound measurements. 12 figs.

  11. Process Of Bonding Copper And Tungsten

    DOE Patents [OSTI]

    Slattery, Kevin T.; Driemeyer, Daniel E.

    1999-11-23

    Process for bonding a copper substrate to a tungsten substrate by providing a thin metallic adhesion promoting film bonded to a tungsten substrate and a functionally graded material (FGM) interlayer bonding the thin metallic adhesion promoting film to the copper substrate. The FGM interlayer is formed by thermal plasma spraying mixtures of copper powder and tungsten powder in a varied blending ratio such that the blending ratio of the copper powder and the tungsten powder that is fed to a plasma torch is intermittently adjusted to provide progressively higher copper content/tungsten content, by volume, ratio values in the interlayer in a lineal direction extending from the tungsten substrate towards the copper substrate. The resulting copper to tungsten joint well accommodates the difference in the coefficient of thermal expansion of the materials.

  12. Method of bonding metals to ceramics

    DOE Patents [OSTI]

    Maroni, Victor A.

    1992-01-01

    A method of forming a composite by providing a ceramic capable of having zero electrical resistance and complete diamagnetism at superconducting temperatures, bonding a thin layer of Ag, Au or alloys thereof with the ceramic. Thereafter, there is bonded a first metal to the ceramic surface at a temperature less than about 400.degree. C., and then a second metal is bonded to the first metal at a temperature less than about 400.degree. C. to form a composite wherein the first metal is selected from the class consisting of In, Ga, Sn, Bi, Zn, Cd, Pb, Ti and alloys thereof and wherein the second metal is selected from the class consisting of Al, Cu, Pb and Zn and alloys thereof.

  13. Fundamental aspects of recoupled pair bonds. II. Recoupled pair bond dyads in carbon and sulfur difluoride

    SciTech Connect (OSTI)

    Dunning, Thom H. Takeshita, Tyler Y.; Xu, Lu T.

    2015-01-21

    Formation of a bond between a second ligand and a molecule with a recoupled pair bond results in a recoupled pair bond dyad. We examine the recoupled pair bond dyads in the a{sup 3}B{sub 1} states of CF{sub 2} and SF{sub 2}, which are formed by the addition of a fluorine atom to the a{sup 4}Σ{sup −} states of CF and SF, both of which possess recoupled pair bonds. The two dyads are very different. In SF{sub 2}, the second FS–F bond is very strong (D{sub e} = 106.3 kcal/mol), the bond length is much shorter than that in the SF(a{sup 4}Σ{sup −}) state (1.666 Å versus 1.882 Å), and the three atoms are nearly collinear (θ{sub e} = 162.7°) with only a small barrier to linearity (0.4 kcal/mol). In CF{sub 2}, the second FC–F bond is also very strong (D{sub e} = 149.5 kcal/mol), but the bond is only slightly shorter than that in the CF(a{sup 4}Σ{sup −}) state (1.314 Å versus 1.327 Å), and the molecule is strongly bent (θ{sub e} = 119.0°) with an 80.5 kcal/mol barrier to linearity. The a{sup 3}B{sub 1} states of CF{sub 2} and SF{sub 2} illustrate the fundamental differences between recoupled pair bond dyads formed from 2s and 3p lone pairs.

  14. Anomalously Large Polarization Effect Responsible for Excitonic Red Shifts in PbSe Quantum Dot Solids

    SciTech Connect (OSTI)

    A Wolcott; V Doyeux; C Nelson; R Gearba; K Lei; K Yager; A dolocan; K Williams; D Nguyen; X Zhu

    2011-12-31

    The formation of solid thin films from colloidal semiconductor quantum dots (QDs) is often accompanied by red shifts in excitonic transitions, but the mechanisms responsible for the red shifts are under debate. We quantitatively address this issue using optical absorption spectroscopy of two-dimensional (2D) and three-dimensional (3D) arrays of PbSe QDs with controlled inter-QD distance, which was determined by the length of alkanedithiol linking molecules. With decreasing inter-QD distance, the first and second exciton absorption peaks show increasing red shifts. Using thin films consisting of large and isolated QDs embedded in a matrix of small QDs, we determine that a dominant contribution to the observed red shift is due to changes in polarization of the dielectric environment surrounding each QD ({approx}88%), while electronic or transition dipole coupling plays a lesser role. However, the observed red shifts are more than 1 order of magnitude larger than theoretical predictions based on the dielectric polarization effect for spherical QDs. We attribute this anomalously large polarization effect to deviations of the exciton wave functions from eigenfunctions of the idealized spherical quantum well model.

  15. Phosphate-bonded calcium aluminate cements

    DOE Patents [OSTI]

    Sugama, T.

    1993-09-21

    A method is described for making a rapid-setting phosphate-bonded cementitious material. A powdered aluminous cement is mixed with an aqueous solution of ammonium phosphate. The mixture is allowed to set to form an amorphous cementitious material which also may be hydrothermally treated at a temperature of from about 120 C to about 300 C to form a crystal-containing phosphate-bonded material. Also described are the cementitious products of this method and the cement composition which includes aluminous cement and ammonium polyphosphate. 10 figures.

  16. Phosphate-bonded calcium aluminate cements

    DOE Patents [OSTI]

    Sugama, Toshifumi

    1993-01-01

    A method is described for making a rapid-setting phosphate-bonded cementitious material. A powdered aluminous cement is mixed with an aqueous solution of ammonium phosphate. The mixture is allowed to set to form an amorphous cementitious material which also may be hydrothermally treated at a temperature of from about 120.degree. C. to about 300.degree. C. to form a crystal-containing phosphate-bonded material. Also described are the cementitious products of this method and the cement composition which includes aluminous cement and ammonium polyphosphate.

  17. Adhesive bonding using variable frequency microwave energy

    DOE Patents [OSTI]

    Lauf, R.J.; McMillan, A.D.; Paulauskas, F.L.; Fathi, Z.; Wei, J.

    1998-08-25

    Methods of facilitating the adhesive bonding of various components with variable frequency microwave energy are disclosed. The time required to cure a polymeric adhesive is decreased by placing components to be bonded via the adhesive in a microwave heating apparatus having a multimode cavity and irradiated with microwaves of varying frequencies. Methods of uniformly heating various articles having conductive fibers disposed therein are provided. Microwave energy may be selectively oriented to enter an edge portion of an article having conductive fibers therein. An edge portion of an article having conductive fibers therein may be selectively shielded from microwave energy. 26 figs.

  18. Adhesive bonding using variable frequency microwave energy

    DOE Patents [OSTI]

    Lauf, R.J.; McMillan, A.D.; Paulauskas, F.L.; Fathi, Z.; Wei, J.

    1998-09-08

    Methods of facilitating the adhesive bonding of various components with variable frequency microwave energy are disclosed. The time required to cure a polymeric adhesive is decreased by placing components to be bonded via the adhesive in a microwave heating apparatus having a multimode cavity and irradiated with microwaves of varying frequencies. Methods of uniformly heating various articles having conductive fibers disposed therein are provided. Microwave energy may be selectively oriented to enter an edge portion of an article having conductive fibers therein. An edge portion of an article having conductive fibers therein may be selectively shielded from microwave energy. 26 figs.

  19. Adhesive bonding using variable frequency microwave energy

    DOE Patents [OSTI]

    Lauf, Robert J.; McMillan, April D.; Paulauskas, Felix L.; Fathi, Zakaryae; Wei, Jianghua

    1998-01-01

    Methods of facilitating the adhesive bonding of various components with variable frequency microwave energy are disclosed. The time required to cure a polymeric adhesive is decreased by placing components to be bonded via the adhesive in a microwave heating apparatus having a multimode cavity and irradiated with microwaves of varying frequencies. Methods of uniformly heating various articles having conductive fibers disposed therein are provided. Microwave energy may be selectively oriented to enter an edge portion of an article having conductive fibers therein. An edge portion of an article having conductive fibers therein may be selectively shielded from microwave energy.

  20. An investigation on microstructure evolution and mechanical properties during liquid state diffusion bonding of Al2024 to Ti–6Al–4V

    SciTech Connect (OSTI)

    Samavatian, Majid; Halvaee, Ayoub; Amadeh, Ahmad Ali; Khodabandeh, Alireza

    2014-12-15

    Joining mechanism of Ti/Al dissimilar alloys was studied during liquid state diffusion bonding process using Cu/Sn/Cu interlayer at 510 °C under vacuum of 7.5 × 10{sup −5} Torr for various bonding times. The microstructure and compositional changes in the joint zone were analyzed by scanning electron microscopy equipped with energy dispersive spectroscopy and X-ray diffraction. Microhardness and shear strength tests were also applied to study the mechanical properties of the joints. It was found that with an increase in bonding time, the elements of interlayer diffused into the parent metals and formed various intermetallic compounds at the interface. Diffusion process led to the isothermal solidification and the bonding evolution in the joint zone. The results from mechanical tests showed that microhardness and shear strength values have a straight relation with bonding time so that the maximum shear strength of joint was obtained for a bond made with 60 min bonding time. - Highlights: • Liquid state diffusion bonding of Al2024 to Ti–6Al–4V was performed successfully. • Diffusion of the elements caused the formation of various intermetallics at the interface. • Microhardness and shear strength values have a straight relation with bonding time. • The maximum shear strength reached to 36 MPa in 60 min bonding time.

  1. Science On Tap - Red Wine and Mars

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Science On Tap - Red Wine and Mars Science On Tap - Red Wine and Mars WHEN: Jun 18, 2015 5:30 PM - 7:00 PM WHERE: UnQuarked Wine Room 145 Central Park Square, Los Alamos, New Mexico 87544, USA SPEAKER: Nina Lanza, Geochemist and Planetary Scientist CONTACT: Jessica Privette 505 667-0375 CATEGORY: Bradbury INTERNAL: Calendar Login Science on Tap series Event Description Science On Tap happens every third Thursday of the month, featuring a new topic each week. It begins with an informal 15-minute

  2. Electron Transfer

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3 Pierre Kennepohl1,2 and Edward Solomon1* 1Department of Chemistry, Stanford University, Stanford, CA 94305 Electron transfer, or the act of moving an electron from one place to another, is amongst the simplest of chemical processes, yet certainly one of the most critical. The process of efficiently and controllably moving electrons around is one of the primary regulation mechanisms in biology. Without stringent control of electrons in living organisms, life could simply not exist. For example,

  3. Non-bonded piezoelectric ultrasonic transducer

    DOE Patents [OSTI]

    Eoff, James M.

    1985-01-01

    A mechanically assembled non-bonded ultrasonic transducer includes a substrate, a piezoelectric film, a wetting agent, a thin metal electrode, and a lens held in intimate contact by a mechanical clamp. No epoxy or glue is used in the assembly of this device.

  4. Fluorinated diamond bonded in fluorocarbon resin

    DOE Patents [OSTI]

    Taylor, Gene W.

    1982-01-01

    By fluorinating diamond grit, the grit may be readily bonded into a fluorocarbon resin matrix. The matrix is formed by simple hot pressing techniques. Diamond grinding wheels may advantageously be manufactured using such a matrix. Teflon fluorocarbon resins are particularly well suited for using in forming the matrix.

  5. METHOD AND ALLOY FOR BONDING TO ZIRCONIUM

    DOE Patents [OSTI]

    McCuaig, F.D.; Misch, R.D.

    1960-04-19

    A brazing alloy can be used for bonding zirconium and its alloys to other metals, ceramics, and cermets, and consists of 6 to 9 wt.% Ni, 6 to 9 wn~.% Cr, Mo, or W, 0 to 7.5 wt.% Fe, and the balance Zr.

  6. Thermally stable, plastic-bonded explosives

    DOE Patents [OSTI]

    Benziger, Theodore M.

    1979-01-01

    By use of an appropriate thermoplastic rubber as the binder, the thermal stability and thermal stress characteristics of plastic-bonded explosives may be greatly improved. In particular, an HMX-based explosive composition using an oil-extended styrene-ethylenebutylene-styrene block copolymer as the binder exhibits high explosive energy and thermal stability and good handling safety and physical properties.

  7. Nickel superoxide dismutase: structural and functional roles of His1 and its H-bonding network

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Maroney, Michael J.; Cabelli, Diane E.; Ryan, Kelly C.; Guce, Abigail I.; Johnson, Olivia E.; Brunold, Thomas C.; Garman, Scott C.

    2015-01-21

    Crystal structures of nickel-dependent superoxide dismutases (NiSODs) reveal the presence of a H-bonding network formed between the NH group of the apical imidazole ligand from His1 and the Glu17 carboxylate from a neighboring subunit in the hexameric enzyme. This interaction is supported by another intrasubunit H-bond between Glu17 and Arg47. In this study, four mutant NiSOD proteins were produced to experimentally evaluate the roles of this H-bonding network and compare the results with prior predictions from density functional theory calculations. The X-ray crystal structure of H1A-NiSOD, which lacks the apical ligand entirely, reveals that in the absence of the Glu17-His1more » H-bond, the active site is disordered. Characterization of this variant using X-ray absorption spectroscopy (XAS) shows that Ni(II) is bound in the expected N₂S₂ planar coordination site. Despite these structural perturbations, the H1A-NiSOD variant retains 4% of wild-type (WT) NiSOD activity. Three other mutations were designed to preserve the apical imidazole ligand but perturb the H-bonding network: R47A-NiSOD, which lacks the intramolecular H-bonding interaction; E17R/R47A-NiSOD, which retains the intramolecular H-bond but lacks the intermolecular Glu17-His1 H-bond; and E17A/R47ANiSOD, which lacks both H-bonding interactions. These variants were characterized by a combination of techniques, including XAS to probe the nickel site structure, kinetic studies employing pulse-radiolytic production of superoxide, and electron paramagnetic resonance to assess the Ni redox activity. The results indicate that in addition to the roles in redox tuning suggested on the basis of previous computational studies, the Glu17-His1 H-bond plays an important structural role in the proper folding of the “Ni-hook” motif that is a critical feature of the active site.« less

  8. Nickel superoxide dismutase: structural and functional roles of His1 and its H-bonding network

    SciTech Connect (OSTI)

    Maroney, Michael J.; Cabelli, Diane E.; Ryan, Kelly C.; Guce, Abigail I.; Johnson, Olivia E.; Brunold, Thomas C.; Garman, Scott C.

    2015-01-21

    Crystal structures of nickel-dependent superoxide dismutases (NiSODs) reveal the presence of a H-bonding network formed between the NH group of the apical imidazole ligand from His1 and the Glu17 carboxylate from a neighboring subunit in the hexameric enzyme. This interaction is supported by another intrasubunit H-bond between Glu17 and Arg47. In this study, four mutant NiSOD proteins were produced to experimentally evaluate the roles of this H-bonding network and compare the results with prior predictions from density functional theory calculations. The X-ray crystal structure of H1A-NiSOD, which lacks the apical ligand entirely, reveals that in the absence of the Glu17-His1 H-bond, the active site is disordered. Characterization of this variant using X-ray absorption spectroscopy (XAS) shows that Ni(II) is bound in the expected N?S? planar coordination site. Despite these structural perturbations, the H1A-NiSOD variant retains 4% of wild-type (WT) NiSOD activity. Three other mutations were designed to preserve the apical imidazole ligand but perturb the H-bonding network: R47A-NiSOD, which lacks the intramolecular H-bonding interaction; E17R/R47A-NiSOD, which retains the intramolecular H-bond but lacks the intermolecular Glu17-His1 H-bond; and E17A/R47ANiSOD, which lacks both H-bonding interactions. These variants were characterized by a combination of techniques, including XAS to probe the nickel site structure, kinetic studies employing pulse-radiolytic production of superoxide, and electron paramagnetic resonance to assess the Ni redox activity. The results indicate that in addition to the roles in redox tuning suggested on the basis of previous computational studies, the Glu17-His1 H-bond plays an important structural role in the proper folding of the Ni-hook motif that is a critical feature of the active site.

  9. Characterization of an explosively bonded aluminum proton beam window for the Spallation Neutron Source

    SciTech Connect (OSTI)

    McClintock, David A; Janney, Jim G; Parish, Chad M

    2014-01-01

    An effort is underway at the Spallation Neutron Source (SNS) to change the design of the 1st Generation high-nickel alloy proton beam window (PBW) to one that utilizes aluminum for the window material. One of the key challenges to implementation of an aluminum PBW at the SNS was selection of an appropriate joining method to bond an aluminum window to the stainless steel bulk shielding of the PBW assembly. An explosively formed bond was selected as the most promising joining method for the aluminum PBW design. A testing campaign was conducted to evaluate the strength and efficacy of explosively formed bonds that were produced using two different interlayer materials: niobium and titanium. The characterization methods reported here include tensile testing, thermal-shock leak testing, optical microscopy, and advanced scanning electron microscopy. All tensile specimens examined failed in the aluminum interlayer and measured tensile strengths were all slightly greater than the native properties of the aluminum interlayer, while elongation values were all slightly lower. A leak developed in the test vessel with a niobium interlayer joint after repeated thermal-shock cycles, and was attributed to an extensive crack network that formed in a layer of niobium-rich intermetallics located on the bond interfaces of the niobium interlayer; the test vessel with a titanium interlayer did not develop a leak under the conditions tested. Due to the experience gained from these characterizations, the explosively formed bond with a titanium interlayer was selected for the aluminum PBW design at the SNS.

  10. Recognizing molecular patterns by machine learning: An agnostic structural definition of the hydrogen bond

    SciTech Connect (OSTI)

    Gasparotto, Piero; Ceriotti, Michele

    2014-11-07

    The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structural patterns observed in molecules and solids. Chemical intuition is nothing but the ability to recognize and predict such patterns, and how they transform into one another. Here, we discuss how to use a computer to identify atomic patterns automatically, so as to provide an algorithmic definition of a bond based solely on structural information. We concentrate in particular on hydrogen bonding – a central concept to our understanding of the physical chemistry of water, biological systems, and many technologically important materials. Since the hydrogen bond is a somewhat fuzzy entity that covers a broad range of energies and distances, many different criteria have been proposed and used over the years, based either on sophisticate electronic structure calculations followed by an energy decomposition analysis, or on somewhat arbitrary choices of a range of structural parameters that is deemed to correspond to a hydrogen-bonded configuration. We introduce here a definition that is univocal, unbiased, and adaptive, based on our machine-learning analysis of an atomistic simulation. The strategy we propose could be easily adapted to similar scenarios, where one has to recognize or classify structural patterns in a material or chemical compound.

  11. Diamondoid Monolayers as Monochromatic Electron Source

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Diamondoid Monolayers as Monochromatic Electron Source Diamondoid Monolayers as Monochromatic Electron Source Print Wednesday, 28 November 2007 00:00 Diamondoids are nanometer-sized molecules that feature diamond-crystal cage structures. Adamantane, the smallest member in the family, consists of one cage structure, diamantane two, triamantane three, tetramantane four, and so on. On all of these, the dangling bonds on the outer surfaces are terminated by hydrogen atoms. Because of their potential

  12. The FIRST-2MASS Red Quasar Survey

    SciTech Connect (OSTI)

    Glikman, E; Helfand, D J; White, R L; Becker, R H; Gregg, M D; Lacy, M

    2007-06-28

    Combining radio observations with optical and infrared color selection--demonstrated in our pilot study to be an efficient selection algorithm for finding red quasars--we have obtained optical and infrared spectroscopy for 120 objects in a complete sample of 156 candidates from a sky area of 2716 square degrees. Consistent with our initial results, we find our selection criteria--J-K > 1.7,R-K > 4.0--yield a {approx} 50% success rate for discovering quasars substantially redder than those found in optical surveys. Comparison with UVX- and optical color-selected samples shows that {approx}> 10% of the quasars are missed in a magnitude-limited survey. Simultaneous two-frequency radio observations for part of the sample indicate that a synchrotron continuum component is ruled out as a significant contributor to reddening the quasars spectra. We go on to estimate extinctions for our objects assuming their red colors are caused by dust. Continuum fits and Balmer decrements suggest E(B-V) values ranging from near zero to 2.5 magnitudes. Correcting the K-band magnitudes for these extinctions, we find that for K {le} 14.0, red quasars make up between 25% and 60% of the underlying quasar population; owing to the incompleteness of the 2MASS survey at fainter K-band magnitudes, we can only set a lower limit to the radio-detected red quasar population of > 20-30%.

  13. Biographical sketch - Kevin Redding | Center for Bio-Inspired Solar Fuel

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Production Kevin Redding a. Professional Preparation Rice University Biochemistry B. S., 1987 Stanford University Biochemistry Ph. D., 1993 University of Geneva Mol. Biology Postdoctoral studies, 1994 - 1998 b. Area of Specialization: Structure/function analysis of biological electron transfer c. Appointments Arizona State University, Associate Professor of Chemistry (1/1/08 - present) Chercheur associé (CNRS), Institut de Biologie Physico-Chimique, Paris (8/15/07-7/20/08) and Fulbright

  14. ASCI Red for dummies : a recipe book for easy use of the ASCI Red platform.

    SciTech Connect (OSTI)

    Kelly, Suzanne Marie; Quinlan, Gerald F.; Miller, Joel D.; Sault, Allen G.; McAllister, Paula L.

    2003-11-01

    It has been recognized that documentation for new customers of ASCI Red, aka janus or the Intel Teraflops at Sandia National Laboratories, has been sadly lacking. This document has been prepared by a team of subject matter experts to fill that void and to provide a starting point for providing a similar document for ASCI Red Storm in the future. This document is intended for SNL users who need to jumpstart their use of Janus and Janus-s.

  15. Red Lake Electric Coop, Inc | Open Energy Information

    Open Energy Info (EERE)

    Red Lake Electric Coop, Inc Jump to: navigation, search Name: Red Lake Electric Coop, Inc Place: Minnesota Phone Number: 218-253-2168 or 800-245-6068 Website: www.redlakeelectric.c...

  16. V-198: Red Hat Enterprise MRG Messaging Qpid Python Certificate...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    8: Red Hat Enterprise MRG Messaging Qpid Python Certificate Validation Flaw Lets Remote Users Conduct Man-in-the-Middle Attacks V-198: Red Hat Enterprise MRG Messaging Qpid Python...

  17. Red River Valley Coop Pwr Assn | Open Energy Information

    Open Energy Info (EERE)

    Red River Valley Coop Pwr Assn Jump to: navigation, search Name: Red River Valley Coop Pwr Assn Place: Minnesota Website: www.rrvcoop.com Facebook: https:www.facebook.comRRVCPA...

  18. Suzhou Red Maple Wind Blade Mould Co | Open Energy Information

    Open Energy Info (EERE)

    Red Maple Wind Blade Mould Co Jump to: navigation, search Name: Suzhou Red Maple Wind Blade Mould Co Place: Jiangsu Province, China Zip: 215400 Sector: Wind energy Product: Jiangsu...

  19. Rooftop Solar Challenge to Cut Solar's Red Tape | Department...

    Energy Savers [EERE]

    Rooftop Solar Challenge to Cut Solar's Red Tape Rooftop Solar Challenge to Cut Solar's Red Tape December 1, 2011 - 4:35pm Addthis Ginny Simmons Ginny Simmons Former Managing Editor ...

  20. Consumer Electronics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    & Events Expand News & Events Skip navigation links Residential Residential Lighting Energy Star Appliances Consumer Electronics Heat Pump Water Heaters Electric Storage Water...

  1. Red Cliffs Campground, Cedar City District, Utah | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Red Cliffs Campground, Cedar City District, Utah Red Cliffs Campground, Cedar City District, Utah Photo of Field Station at Red Cliffs Campground in Utah's Cedar City District The Bureau of Land Management (BLM) has remote field stations in Arizona, California, Utah, Idaho, and Alaska. This photograph shows the field station at Red Cliffs Campground in Utah's Cedar City District. Photovoltaic power systems allow the people working in these remote areas to have the convenience of continuous

  2. Characterization and Isolation of Constituents Causing Red Coloration in

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Desert Arroyo Seepage Water | Department of Energy Characterization and Isolation of Constituents Causing Red Coloration in Desert Arroyo Seepage Water Characterization and Isolation of Constituents Causing Red Coloration in Desert Arroyo Seepage Water Characterization and Isolation of Constituents Causing Red Coloration in Desert Arroyo Seepage Water Characterization and Isolation of Constituents Causing Red Coloration in Desert Arroyo Seepage Water (863.48 KB) More Documents &

  3. Article coated with flash bonded superhydrophobic particles

    DOE Patents [OSTI]

    Simpson, John T [Clinton, TN; Blue, Craig A [Knoxville, TN; Kiggans, Jr., James O [Oak Ridge, TN

    2010-07-13

    A method of making article having a superhydrophobic surface includes: providing a solid body defining at least one surface; applying to the surface a plurality of diatomaceous earth particles and/or particles characterized by particle sizes ranging from at least 100 nm to about 10 .mu.m, the particles being further characterized by a plurality of nanopores, wherein at least some of the nanopores provide flow through porosity, the particles being further characterized by a plurality of spaced apart nanostructured features that include a contiguous, protrusive material; flash bonding the particles to the surface so that the particles are adherently bonded to the surface; and applying a hydrophobic coating layer to the surface and the particles so that the hydrophobic coating layer conforms to the nanostructured features.

  4. Bond order potential module for LAMMPS

    Energy Science and Technology Software Center (OSTI)

    2012-09-11

    pair_bop is a module for performing energy calculations using the Bond Order Potential (BOP) for use in the parallel molecular dynamics code LAMMPS. The bop pair style computes BOP based upon quantum mechanical incorporating both sigma and pi bondings. By analytically deriving the BOP pair bop from quantum mechanical theory its transferability to different phases can approach that of quantum mechanical methods. This potential is extremely effective at modeling 111-V and II-VI compounds such asmore » GaAs and CdTe. This potential is similar to the original BOP developed by Pettifor and later updated by Murdock et al. and Ward et al.« less

  5. Fractional vortices in the XY model with {pi} bonds (Journal...

    Office of Scientific and Technical Information (OSTI)

    Fractional vortices in the XY model with pi bonds Citation Details In-Document Search Title: Fractional vortices in the XY model with pi bonds We define a new set of excitations ...

  6. Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands...

    Office of Scientific and Technical Information (OSTI)

    Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb Citation Details In-Document Search Title: Reversible Sigma C-C Bond Formation Between ...

  7. Pre-plated reactive diffusion-bonded battery electrode plaques

    DOE Patents [OSTI]

    Maskalick, Nicholas J.

    1984-01-01

    A high strength, metallic fiber battery plaque is made using reactive diffusion bonding techniques, where a substantial amount of the fibers are bonded together by an iron-nickel alloy.

  8. RedLeaf Resources Ecoshale Project | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    RedLeaf Resources Ecoshale Project RedLeaf Resources Ecoshale Project Overview of oil shale reserves, unique oil extraction issues, novel approach for cost-effective extraction deer08_patten.pdf (6.04 MB) More Documents & Publications Secure Fuels from Domestic Resources - Oil Shale and Tar Sands Oil Shale Research in the United States EERE: VTO - Red Leaf PNG Image

  9. Hidden values in bauxite residue (red mud): Recovery of metals

    SciTech Connect (OSTI)

    Liu, Yanju; Naidu, Ravi

    2014-12-15

    Highlights: • Current iron recovery techniques using red mud are depicted. • Advantages and disadvantages exist in different recovering processes. • Economic and environmental friendly integrated usage of red mud is promising. - Abstract: Bauxite residue (red mud) is a hazardous waste generated from alumina refining industries. Unless managed properly, red mud poses significant risks to the local environment due to its extreme alkalinity and its potential impacts on surface and ground water quality. The ever-increasing generation of red mud poses significant challenges to the aluminium industries from management perspectives given the low proportion that are currently being utilized beneficially. Red mud, in most cases, contains elevated concentrations of iron in addition to aluminium, titanium, sodium and valuable rare earth elements. Given the scarcity of iron supply globally, the iron content of red mud has attracted increasing research interest. This paper presents a critical overview of the current techniques employed for iron recovery from red mud. Information on the recovery of other valuable metals is also reviewed to provide an insight into the full potential usage of red mud as an economic resource rather than a waste. Traditional hydrometallurgy and pyrometallurgy are being investigated continuously. However, in this review several new techniques are introduced that consider the process of iron recovery from red mud. An integrated process which can achieve multiple additional values from red mud is much preferred over the single process methods. The information provided here should help to improve the future management and utilization of red mud.

  10. Vacuum fusion bonding of glass plates

    DOE Patents [OSTI]

    Swierkowski, Steve P.; Davidson, James C.; Balch, Joseph W.

    2001-01-01

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  11. Vacuum fusion bonding of glass plates

    DOE Patents [OSTI]

    Swierkowski, Steve P.; Davidson, James C.; Balch, Joseph W.

    2000-01-01

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  12. Thermal Modeling of A Friction Bonding Process

    SciTech Connect (OSTI)

    John Dixon; Douglas Burkes; Pavel Medvedev

    2007-10-01

    A COMSOL model capable of predicting temperature evolution during nuclear fuel fabrication is being developed at the Idaho National Laboratory (INL). Fuel plates are fabricated by friction bonding (FB) uranium-molybdenum (U-Mo) alloy foils positioned between two aluminum plates. The ability to predict temperature distribution during fabrication is imperative to ensure good quality bonding without inducing an undesirable chemical reaction between U-Mo and aluminum. A three-dimensional heat transfer model of the FB process implementing shallow pin penetration for cladding monolithic nuclear fuel foils is presented. Temperature distribution during the FB process as a function of fabrication parameters such as weld speed, tool load, and tool rotational frequency are predicted. Model assumptions, settings, and equations are described in relation to standard friction stir welding. Current experimental design for validation and calibration of the model is also demonstrated. Resulting experimental data reveal the accuracy in describing asymmetrical temperature distributions about the tool face. Temperature of the bonded plate drops beneath the pin and is higher on the advancing side than the retreating side of the tool.

  13. Microchannel cooling of face down bonded chips

    DOE Patents [OSTI]

    Bernhardt, Anthony F.

    1993-01-01

    Microchannel cooling is applied to flip-chip bonded integrated circuits, in a manner which maintains the advantages of flip-chip bonds, while overcoming the difficulties encountered in cooling the chips. The technique is suited to either multichip integrated circuit boards in a plane, or to stacks of circuit boards in a three dimensional interconnect structure. Integrated circuit chips are mounted on a circuit board using flip-chip or control collapse bonds. A microchannel structure is essentially permanently coupled with the back of the chip. A coolant delivery manifold delivers coolant to the microchannel structure, and a seal consisting of a compressible elastomer is provided between the coolant delivery manifold and the microchannel structure. The integrated circuit chip and microchannel structure are connected together to form a replaceable integrated circuit module which can be easily decoupled from the coolant delivery manifold and the circuit board. The coolant supply manifolds may be disposed between the circuit boards in a stack and coupled to supplies of coolant through a side of the stack.

  14. Microchannel cooling of face down bonded chips

    DOE Patents [OSTI]

    Bernhardt, A.F.

    1993-06-08

    Microchannel cooling is applied to flip-chip bonded integrated circuits, in a manner which maintains the advantages of flip-chip bonds, while overcoming the difficulties encountered in cooling the chips. The technique is suited to either multi chip integrated circuit boards in a plane, or to stacks of circuit boards in a three dimensional interconnect structure. Integrated circuit chips are mounted on a circuit board using flip-chip or control collapse bonds. A microchannel structure is essentially permanently coupled with the back of the chip. A coolant delivery manifold delivers coolant to the microchannel structure, and a seal consisting of a compressible elastomer is provided between the coolant delivery manifold and the microchannel structure. The integrated circuit chip and microchannel structure are connected together to form a replaceable integrated circuit module which can be easily decoupled from the coolant delivery manifold and the circuit board. The coolant supply manifolds may be disposed between the circuit boards in a stack and coupled to supplies of coolant through a side of the stack.

  15. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Surprising Path for Proton Transfer Without Hydrogen Bonds A Surprising Path for Proton Transfer Without Hydrogen Bonds Print Wednesday, 25 July 2012 00:00 Hydrogen bonds are found everywhere in chemistry and biology and are critical in DNA and RNA. A hydrogen bond results from the attractive dipolar interaction of a chemical group containing a hydrogen atom with a group containing an electronegative atom, such as nitrogen, oxygen, or fluorine, in the same or a different molecule. Conventional

  16. Taking Advantage of Qualified Energy Conservation Bonds | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Taking Advantage of Qualified Energy Conservation Bonds Taking Advantage of Qualified Energy Conservation Bonds This webinar, held on Sept. 22, 2010, provides information on qualified energy conservation bonds. Transcript Presentation (2.03 MB) More Documents & Publications Aggregating QECB Allocations and Using QECBs to Support the Private Sector: A Case Study on Massachusetts Making it Easier to Complete Clean Energy Projects with Qualified Energy Conservation Bonds (QECBs)

  17. Qualified Energy Conservation Bonds: Updates from the Field

    Office of Energy Efficiency and Renewable Energy (EERE)

    This webinar, held on March 28, 2011, focuses on qualified energy conservation bond updates, including issuance trends and performance contracting.

  18. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print Wednesday, 25 May 2005 00:00 The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the

  19. Organic solution-processible electroluminescent molecular glasses for non-doped standard red OLEDs with electrically stable chromaticity

    SciTech Connect (OSTI)

    Bi, Xiaoman; Zuo, Weiwei; Liu, Yingliang Zhang, Zhenru; Zeng, Cen; Xu, Shengang; Cao, Shaokui

    2015-10-15

    Highlights: • The D–A–D electroluminescent molecular glasses are synthesized. • Non-doped red electroluminescent film is fabricated by spin-coating. • Red OLED shows stable wavelength, luminous efficiency and chromaticity. • CIE1931 coordinate is in accord with standard red light in PAL system. - Abstract: Organic light-emitting molecular glasses (OEMGs) are synthesized through the introduction of nonplanar donor and branched aliphatic chain into electroluminescent emitters. The target OEMGs are characterized by {sup 1}H NMR, {sup 13}C NMR, IR, UV–vis and fluorescent spectra as well as elemental analysis, TG and DSC. The results indicated that the optical, electrochemical and electroluminescent properties of OEMGs are adjusted successfully by the replacement of electron-donating group. The non-doped OLED device with a standard red electroluminescent emission is achieved by spin-coating the THF solution of OEMG with a triphenylamine moiety. This non-doped red OLED device takes on an electrically stable electroluminescent performance, including the stable maximum electroluminescent wavelength of 640 nm, the stable luminous efficiency of 2.4 cd/A and the stable CIE1931 coordinate of (x, y) = (0.64, 0.35), which is basically in accord with the CIE1931 coordinate (x, y) = (0.64, 0.33) of standard red light in PAL system.

  20. Sintered silver joints via controlled topography of electronic packaging subcomponents

    DOE Patents [OSTI]

    Wereszczak, Andrew A.

    2014-09-02

    Disclosed are sintered silver bonded electronic package subcomponents and methods for making the same. Embodiments of the sintered silver bonded EPSs include topography modification of one or more metal surfaces of semiconductor devices bonded together by the sintered silver joint. The sintered silver bonded EPSs include a first semiconductor device having a first metal surface, the first metal surface having a modified topography that has been chemically etched, grit blasted, uniaxial ground and/or grid sliced connected to a second semiconductor device which may also include a first metal surface with a modified topography, a silver plating layer on the first metal surface of the first semiconductor device and a silver plating layer on the first metal surface of the second semiconductor device and a sintered silver joint between the silver plating layers of the first and second semiconductor devices which bonds the first semiconductor device to the second semiconductor device.

  1. A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

    SciTech Connect (OSTI)

    Raupach, Marc; Tonner, Ralf

    2015-05-21

    The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the bonding energy between two fragments (e.g., the adsorption energy of a molecule on a surface) into several well-defined terms: preparation, electrostatic, Pauli repulsion, and orbital relaxation energies. This is complemented by consideration of dispersion interactions via a pairwise scheme. One major extension toward a previous implementation [Philipsen and Baerends, J. Phys. Chem. B 110, 12470 (2006)] lies in the separate discussion of electrostatic and Pauli and the addition of a dispersion term. The pEDA presented here for an implementation based on atomic orbitals can handle restricted and unrestricted fragments for 0D to 3D systems considering periodic boundary conditions with and without the determination of fragment occupations. For the latter case, reciprocal space sampling is enabled. The new method gives comparable results to established schemes for molecular systems and shows good convergence with respect to the basis set (TZ2P), the integration accuracy, and k-space sampling. Four typical bonding scenarios for surface-adsorbate complexes were chosen to highlight the performance of the method representing insulating (CO on MgO(001)), metallic (H{sub 2} on M(001), M = Pd, Cu), and semiconducting (CO and C{sub 2}H{sub 2} on Si(001)) substrates. These examples cover diverse substrates as well as bonding scenarios ranging from weakly interacting to covalent (shared electron and donor acceptor) bonding. The results presented lend confidence that the pEDA will be a powerful tool for the analysis of surface-adsorbate bonding in the future, enabling the transfer of concepts like ionic and covalent bonding, donor-acceptor interaction, steric repulsion, and others to extended systems.

  2. RedLeaf Resources Ecoshale Project

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    RedLeaf Resources Ecoshale Project Overview DEER 2008 Energy demand is exploding but "renewable energy" can't fill gap. Existing conventional oil production is "peaking" Lower extraction costs and demand have accelerated unconventional oil sands. * Unconventional Hydrocarbons - The hidden opportunity, oil industry consultancy Wood Mackenzie: "by 2025 unconventional oil is expected to supply more than 20% of global demand. Canada's UNCONVENTIONAL climb to the top of world

  3. Effect of Superalloy Substrate and Bond Coating on TBC Lifetime

    SciTech Connect (OSTI)

    Pint, Bruce A; Haynes, James A; Zhang, Ying

    2010-01-01

    Several different single-crystal superalloys were coated with different bond coatings to study the effect of composition on the cyclic oxidation lifetime of an yttria-stabilized zirconia (YSZ) top coating deposited by electron beam physical vapor deposition from a commercial source. Three different superalloys were coated with a 7 {micro}m Pt layer that was diffused into the surface prior to YSZ deposition. One of the superalloys, N5, was coated with a low activity, Pt-modified aluminide coating and Pt-diffusion coatings with 3 and 7 {micro}m of Pt. Three coatings of each type were furnace cycled to failure in 1 h cycles at 1150 C to assess average coating lifetime. The 7 {micro}m Pt diffusion coating on N5 had an average YSZ coating lifetime >50% higher than a Pt-modified aluminide coating on N5. Without a YSZ coating, the Pt-modified aluminide coating on N5 showed the typical surface deformation during cycling, however, the deformation was greatly reduced when constrained by the YSZ coating. The 3 {micro}m Pt diffusion coating had a similar average lifetime as the Pt-modified aluminide coating but a much wider scatter. The Pt diffusion bond coating on superalloy X4 containing Ti exhibited the shortest YSZ coating lifetime, this alloy-coating combination also showed the worst alumina scale adhesion without a YSZ coating. The third generation superalloy N6 exhibited the longest coating lifetime with a 7 {micro}m Pt diffusion coating.

  4. Electronegativity estimation of electronic polarizabilities of semiconductors

    SciTech Connect (OSTI)

    Li, Keyan [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China)] [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China); Xue, Dongfeng, E-mail: dfxue@chem.dlut.edu.cn [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China)] [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China)

    2010-03-15

    On the basis of the viewpoint of structure-property relationship in solid state matters, we proposed some useful relations to quantitatively calculate the electronic polarizabilities of binary and ternary chalcopyrite semiconductors, by using electronegativity and principal quantum number. The calculated electronic polarizabilities are in good agreement with reported values in the literature. Both electronegativity and principal quantum number can effectively reflect the detailed chemical bonding behaviors of constituent atoms in these semiconductors, which determines the magnitude of their electronic polarizabilities. The present work provides a useful guide to compositionally design novel semiconductor materials, and further explore advanced electro-optic devices.

  5. V-138: Red Hat update for icedtea-web | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    8: Red Hat update for icedtea-web V-138: Red Hat update for icedtea-web April 19, 2013 - 6:00am Addthis PROBLEM: Red Hat has issued an update for icedtea-web PLATFORM: Red Hat ...

  6. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    requires a comprehensive theoretical effort to deconvolute spectra composed of numerous electronic transitions. Challenges associated with quantitative carbon K-edge XAS were...

  7. Covalent Bonding in Actinide Sandwich Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    rows) mix with orbitals of carbon in various configurations has been the subject of debate. Development of more precise models of the electronic structure in molecules with...

  8. Reversible Sigma C-C Bond Formation

    Office of Scientific and Technical Information (OSTI)

    ... This article shows that single electron transfer (SET) to a -symmetry LUMO of a ... shape that differ mainly by a scaling factor for the neutral and cationic adducts, ...

  9. redMaGiC. Selecting Luminous Red Galaxies from the DES Science Verification Data

    SciTech Connect (OSTI)

    Rozo, E.

    2015-07-20

    We introduce redMaGiC, an automated algorithm for selecting Luminous Red Galaxies (LRGs). The algorithm was developed to minimize photometric redshift uncertainties in photometric large-scale structure studies. redMaGiC achieves this by self-training the color-cuts necessary to produce a luminosity-thresholded LRG sam- ple of constant comoving density. Additionally, we demonstrate that redMaGiC photo-zs are very nearly as accurate as the best machine-learning based methods, yet they require minimal spectroscopic training, do not suffer from extrapolation biases, and are very nearly Gaussian. We apply our algorithm to Dark Energy Survey (DES) Science Verification (SV) data to produce a redMaGiC catalog sampling the redshift range z ϵ [0.2,0.8]. Our fiducial sample has a comoving space density of 10-3 (h-1Mpc)-3, and a median photo-z bias (zspec zphoto) and scatter (σz=(1 + z)) of 0.005 and 0.017 respectively.The corresponding 5σ outlier fraction is 1.4%. We also test our algorithm with Sloan Digital Sky Survey (SDSS) Data Release 8 (DR8) and Stripe 82 data, and discuss how spectroscopic training can be used to control photo-z biases at the 0.1% level.

  10. Robust Ag nanoplate ink for flexible electronics packaging

    SciTech Connect (OSTI)

    Li, Ruo -Zhou; Hu, Anming; Bridges, Denzel; Oakes, Ken D.; Peng, Rui; Tumuluri, Uma; Wu, Zili; Feng, Zhili; Zhang, Tong

    2015-03-24

    Nanoinks are currently a topic of heightened interest with respect to low temperature bonding processes and printable electronics. We have developed an innovative polyvinylpyrrolidone (PVP)-stabilized Ag nanoplate ink amenable to very strong low temperature packaging, and investigated the relationship between bonding strength and electrical conductivity post-bonding. PVP shell plastic deformations observed in failure microcracks with the formation of PVP nanofibers, revealed bonding strength at low temperatures (<250 °C) was primarily due to adhesive bonding. It is found that, utilizing photonic sintering, ~70 °C reduction of transformation temperature from adhesive to metallic bonding was achieved compared to that of thermal sintering. A numerical simulation was developed to better understand the influences of the light-induced heat generation, which demonstrated near-infrared light can facilitate sintering. Bonding strengths of 27 MPa were achieved at room temperatures, and 29.4 MPa at 210 °C with photonic sintering. Moreover, the anisotropic resistivity was observed with different thermal dependences. Furthermore, these results demonstrate Ag nanoplate inks have potential for low temperature 3D interconnections in lead-free microcircuits, flexible electronic packaging, and diverse sensing applications.